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

*Links on SpectraBase are not permalinks.

CUMYL-PICA N-pentanoic acid metabolite

View entire compound with spectra: 1 MS (GC)

CUMYL-PICA N-pentanoic acid metabolite
SpectraBase Compound ID LJczfmzJhFu
InChI InChI=1S/C23H26N2O3/c1-23(2,17-10-4-3-5-11-17)24-22(28)19-16-25(15-9-8-14-21(26)27)20-13-7-6-12-18(19)20/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,24,28)(H,26,27)
InChIKey PAIZLLVUTPSHRQ-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C23H26N2O3
Exact Mass 378.194343 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 6LYNeeXmqKH
Name CUMYL-PICA N-pentanoic acid metabolite
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O3
InChI InChI=1S/C23H26N2O3/c1-23(2,17-10-4-3-5-11-17)24-22(28)19-16-25(15-9-8-14-21(26)27)20-13-7-6-12-18(19)20/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,24,28)(H,26,27)
InChIKey PAIZLLVUTPSHRQ-UHFFFAOYSA-N
Molecular Weight 378.472 g/mol
SMILES N(C(c1c[n](CCCCC(O)=O)c2ccccc12)=O)C(c1ccccc1)(C)C
SPLASH splash10-03di-3900000000-323babaa2a677832c1c3
Source of Spectrum SWG-33-4688-0
Synonyms CUMYL-PICA N-(5-carboxypentyl) metabolite 5-Fluoro-CUMYL-PICA N-(5-carboxypentyl) metabolite 5F-CUMYL-PICA N-(5-carboxypentyl) metabolite 5-(3-((2-phenylpropan-2-yl)carbamoyl)-1H-indol-1-yl)pentanoic acid
Wiley ID 1811284