5-Fluoro NPB-22

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Systematic / IUPAC Name: 8-Quinolinyl 1-(5-fluoropentyl)-1H-indazole-3-carboxylate

ID: Reference5125

Other Names: 1-(5-Fluoropentyl)-8-quinolinyl ester-1H-indazole-3-carboxylic acid;
1H-Indazole-3-carboxylic acid, 1-(5-fluoropentyl)-, 8-quinolinyl ester

Formula: C22H20FN3O2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

5-Fluoro NPB-22 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/2/2016 12:59:45 PM
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Identificators

InChI InChI=1S/C22H20FN3O2/c23-13-4-1-5-15-26-18-11-3-2-10-17(18)21(25-26)22(27)28-19-12-6-8-16-9-7-14-24-20(16)19/h2-3,6-12,14H,1,4-5,13,15H2
InChI Key DZNDVBLSHUYZLI-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=NN2CCCCCF)C(=O)OC3=CC=CC4=C3N=CC=C4
CAS 1445579792
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Other Names 1-(5-Fluoropentyl)-8-quinolinyl ester-1H-indazole-3-carboxylic acid;
1H-Indazole-3-carboxylic acid, 1-(5-fluoropentyl)-, 8-quinolinyl ester

In Other Databases

PubChem 118796524
ChemSpider 30922492