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
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.
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 |
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 |