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  3. HIT212741303
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HIT212741303
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HIT212741303
  • HIT ID:HIT212741303
  • Cas No:1616469-09-0
  • 常用名:XLR11 Degradant
  • 别名:5-FUR-144 Degradant
  • IUPAC:1-[1-(5-fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethylpent-4-en-1-one
    IUPAC:1-[1-(5-fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethylpent-4-en-1-one
  • InChI key:BEZVSTOQIZTNCK-UHFFFAOYSA-N
  • 分子式:C21H28FNO
  • 分子量:329.459
  • 氢键供体数 (HBD):0
  • 氢键受体数 (HBA):1
  • LogP:5.192325
  • SMILES:CC(=C)C(C)(C)CC(=O)c1cn(CCCCCF)c2ccccc12
    SMILES:CC(=C)C(C)(C)CC(=O)c1cn(CCCCCF)c2ccccc12
  • XLR11, a synthetic cannabinoid (CB) featuring a tetramethylcyclopropyl group, exhibits enhanced affinity for the CB2 receptor, common among synthetic CBs for its receptor affinity. XLR11 degradant, a frequent impurity identified in GC-MS analysis of XLR11-containing samples, originates from the thermal decomposition of XLR11, leading to an opened ring structure. This change results in a distinct fragment ion in mass spectrometry, being 15 amu heavier than XLR11's base peak. Such a signature is indicative of a McLafferty rearrangement in the degradant, a reaction not observed in the parent compound.
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