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ADBICA N-(5-hydroxypentyl) metabolite

View entire compound with spectra: 1 MS (GC)

ADBICA N-(5-hydroxypentyl) metabolite
SpectraBase Compound ID ICVihTQDGht
InChI InChI=1S/C20H29N3O3/c1-20(2,3)17(18(21)25)22-19(26)15-13-23(11-7-4-8-12-24)16-10-6-5-9-14(15)16/h5-6,9-10,13,17,24H,4,7-8,11-12H2,1-3H3,(H2,21,25)(H,22,26)/t17-/m0/s1
InChIKey ICYIIRAAIJKCGW-KRWDZBQOSA-N
Mol Weight 359.47 g/mol
Molecular Formula C20H29N3O3
Exact Mass 359.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OBfyF0fPtZ
Name ADBICA N-(5-hydroxypentyl) metabolite
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29N3O3
InChI InChI=1S/C20H29N3O3/c1-20(2,3)17(18(21)25)22-19(26)15-13-23(11-7-4-8-12-24)16-10-6-5-9-14(15)16/h5-6,9-10,13,17,24H,4,7-8,11-12H2,1-3H3,(H2,21,25)(H,22,26)/t17-/m0/s1
InChIKey ICYIIRAAIJKCGW-KRWDZBQOSA-N
Molecular Weight 359.470 g/mol
SMILES N(C(c1c[n](CCCCCO)c2ccccc12)=O)[C@@](C(N)=O)(C(C)(C)C)[H]
SPLASH splash10-001i-2590000000-e4428534105f0ad7328a
Source of Spectrum SWG-33-3549-0
Synonyms N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)-1H-indole-3-carboxamide (R)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)-1H-indole-3-carboxamide
Wiley ID 1810339