CUMYL-PICA N-pentanoic acid metabolite

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Systematic / IUPAC Name: 5-{3-[(2-phenylpropan-2-yl)carbamoyl]-1H-indol-1-yl}pentanoic acid

ID: Reference8346

Other Names: CUMYL-PICA N-(5-carboxypentyl) metabolite;
5-Fluoro CUMYL-PICA N-(5-carboxypentyl) metabolite

Formula: C23H26N2O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

CUMYL-PICA N-pentanoic acid metabolite mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 220
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/19/2018 10:58:24 AM
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Identificators

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)
InChI Key PAIZLLVUTPSHRQ-UHFFFAOYSA-N
Canonical SMILES O=C(NC(C)(C)C1=CC=CC=C1)C2=CN(CCCCC(O)=O)C3=C2C=CC=C3
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Other Names CUMYL-PICA N-(5-carboxypentyl) metabolite;
5-Fluoro CUMYL-PICA N-(5-carboxypentyl) metabolite

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