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ADBICA N-(4-hydroxypentyl) metabolite
SpectraBase Compound ID GGCPXvwdnjO
InChI InChI=1S/C20H29N3O3/c1-13(24)8-7-11-23-12-15(14-9-5-6-10-16(14)23)19(26)22-17(18(21)25)20(2,3)4/h5-6,9-10,12-13,17,24H,7-8,11H2,1-4H3,(H2,21,25)(H,22,26)/t13?,17-/m0/s1
InChIKey IZMLODTWDCPVEI-RUINGEJQSA-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 DU8YTA0nRkT
Name ADBICA N-(4-hydroxypentyl) metabolite
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29N3O3
InChI InChI=1S/C20H29N3O3/c1-13(24)8-7-11-23-12-15(14-9-5-6-10-16(14)23)19(26)22-17(18(21)25)20(2,3)4/h5-6,9-10,12-13,17,24H,7-8,11H2,1-4H3,(H2,21,25)(H,22,26)/t13?,17-/m0/s1
InChIKey IZMLODTWDCPVEI-RUINGEJQSA-N
Molecular Weight 359.470 g/mol
SMILES N(C(c1c[n](CCCC(C)O)c2ccccc12)=O)[C@@](C(N)=O)(C(C)(C)C)[H]
SPLASH splash10-001i-2690000000-922873aa955f3058034c
Source of Spectrum SWG-33-3550-0
Synonyms N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-hydroxypentyl)-1H-indole-3-carboxamide N-((R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-hydroxypentyl)-1H-indole-3-carboxamide
Wiley ID 1810340