THJ2201 N-pentanoic acid metabolite

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Systematic / IUPAC Name: 3-(1-Naphthalenylcarbonyl)-1H-indazole-1-pentanoic acid

ID: Reference6494

Other Names: THJ 018 N-pentanoic acid metabolite

Formula: C23H20N2O3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

THJ2201 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/23/2017 10:06:25 AM
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Identificators

InChI InChI=1S/C23H20N2O3/c26-21(27)14-5-6-15-25-20-13-4-3-11-19(20)22(24-25)23(28)18-12-7-9-16-8-1-2-10-17(16)18/h1-4,7-13H,5-6,14-15H2,(H,26,27)
InChI Key XAOOYUZHRQLPHJ-UHFFFAOYSA-N
Canonical SMILES O=C(C1=CC=CC2=C1C=CC=C2)C3=NN(CCCCC(O)=O)C4=C3C=CC=C4
CAS 1850409185
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Other Names THJ 018 N-pentanoic acid metabolite

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