For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

AKB48 N-(4-hydroxypentyl) metabolite

View entire compound with spectra: 1 MS (GC)

AKB48 N-(4-hydroxypentyl) metabolite
SpectraBase Compound ID IbqMzc7h21y
InChI InChI=1S/C23H31N3O2/c1-15(27)5-4-8-26-20-7-3-2-6-19(20)21(25-26)22(28)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,6-7,15-18,27H,4-5,8-14H2,1H3,(H,24,28)/t15?,16-,17+,18-,23-
InChIKey RTBQZNKCFFBCBJ-WHOQYPDLSA-N
Mol Weight 381.52 g/mol
Molecular Formula C23H31N3O2
Exact Mass 381.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BVExrFJ6jsq
Name AKB48 N-(4-hydroxypentyl) metabolite
Alternate Name(s) N-((3s,5s,7s)-adamantan-1-yl)-1-(4-hydroxypentyl)-1H-indazole-3-carboxamide APINACA N-(4-hydroxypentyl) metabolite N-(adamantan-1-yl)-1-(4-hydroxypentyl)-1H-indazole-3-carboxamide N-((1s,3s)-adamantan-1-yl)-1-(4-hydroxypentyl)-1H-indazole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31N3O2
InChI InChI=1S/C23H31N3O2/c1-15(27)5-4-8-26-20-7-3-2-6-19(20)21(25-26)22(28)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,6-7,15-18,27H,4-5,8-14H2,1H3,(H,24,28)/t15?,16-,17+,18-,23-
InChIKey RTBQZNKCFFBCBJ-WHOQYPDLSA-N
Molecular Weight 381.520 g/mol
SMILES N(C(c1n[n](CCCC(C)O)c2ccccc12)=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-01pn-5963000000-1b7814e31c051591ec85
Source of Spectrum SWG-33-3474-0
Wiley ID 1810282