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AKB48 N-(5-hydroxypentyl) metabolite

View entire compound with spectra: 1 MS (GC)

AKB48 N-(5-hydroxypentyl) metabolite
SpectraBase Compound ID LKkzUUxaP7t
InChI InChI=1S/C23H31N3O2/c27-9-5-1-4-8-26-20-7-3-2-6-19(20)21(25-26)22(28)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18,27H,1,4-5,8-15H2,(H,24,28)/t16-,17+,18-,23-
InChIKey JHUVNYPOUNCRTP-BRGRSMLUSA-N
Mol Weight 381.52 g/mol
Molecular Formula C23H31N3O2
Exact Mass 381.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1B4Hb3W8P2
Name AKB48 N-(5-hydroxypentyl) metabolite
Alternate Name(s) APINACA N-(5-hydroxypentyl) metabolite N-((3s,5s,7s)-adamantan-1-yl)-1-(5-hydroxypentyl)-1H-indazole-3-carboxamide N-(adamantan-1-yl)-1-(5-hydroxypentyl)-1H-indazole-3-carboxamide N-((1s,3s)-adamantan-1-yl)-1-(5-hydroxypentyl)-1H-indazole-3-carboxamide
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Formula C23H31N3O2
InChI InChI=1S/C23H31N3O2/c27-9-5-1-4-8-26-20-7-3-2-6-19(20)21(25-26)22(28)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18,27H,1,4-5,8-15H2,(H,24,28)/t16-,17+,18-,23-
InChIKey JHUVNYPOUNCRTP-BRGRSMLUSA-N
Molecular Weight 381.520 g/mol
SMILES N(C(c1n[n](CCCCCO)c2ccccc12)=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-0gwn-5962000000-9479877e4a4730710a6b
Source of Spectrum SWG-33-3475-0
Wiley ID 1810283