5-Fluoro THJ

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Systematic / IUPAC Name: 1-(5-Fluoropentyl)-N-(8-quinolinyl)-1H-indazole-3-carboxamide

ID: Reference5442

Other Names: 1-(5-Fluoropentyl)-N-(quinolin-8-yl)-1H-indazole-3-carboxamide ;
1H-Indazole-3-carboxamide, 1-(5-fluoropentyl)-N-8-quinolinyl-

Formula: C22H21FN4O

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

5-Fluoro THJ 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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/5/2016 8:55:58 AM
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Identificators

InChI InChI=1S/C22H21FN4O/c23-13-4-1-5-15-27-19-12-3-2-10-17(19)21(26-27)22(28)25-18-11-6-8-16-9-7-14-24-20(16)18/h2-3,6-12,14H,1,4-5,13,15H2,(H,25,28)
InChI Key GMRIDDSOZRLMAN-UHFFFAOYSA-N
Canonical SMILES O=C(NC1=C(N=CC=C2)C2=CC=C1)C3=NN(CCCCCF)C4=C3C=CC=C4
CAS
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Other Names 1-(5-Fluoropentyl)-N-(quinolin-8-yl)-1H-indazole-3-carboxamide ;
1H-Indazole-3-carboxamide, 1-(5-fluoropentyl)-N-8-quinolinyl-

In Other Databases

ChemSpider 29763732