JWH 018 N-pentanoic acid metabolite

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Systematic / IUPAC Name: 5-[3-(1-Naphthoyl)-1H-indol-1-yl]pentanoic acid

ID: Reference4949

Other Names: 1H-Indole-1-pentanoic acid, 3-(1-naphthalenylcarbonyl)-

Formula: C24H21NO3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

JWH 018 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 Orbitrap Fusion with FAIMS ; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 1353
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/8/2019 1:49:39 PM
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Identificators

InChI InChI=1S/C24H21NO3/c26-23(27)14-5-6-15-25-16-21(19-11-3-4-13-22(19)25)24(28)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,5-6,14-15H2,(H,26,27)
InChI Key BYIVGHIYNFQIJX-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCC(=O)O
CAS 1254475870
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Other Names 1H-Indole-1-pentanoic acid, 3-(1-naphthalenylcarbonyl)-

In Other Databases

PubChem 53394451
ChemSpider 26458423