5-Fluoro ADB metabolite 7

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Systematic / IUPAC Name: N-{[1-(5-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valine

ID: Reference8342

Other Names: L-Valine, N-[[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl]-3-methyl-;
(S)-2-(1-(5-Fluoropentyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoic acid;
5-Fluoro MDMB-PINACA metabolite 7

Formula: C19H26FN3O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

5-Fluoro ADB metabolite 7 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 211
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/19/2018 6:25:46 AM
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Identificators

InChI InChI=1S/C19H26FN3O3/c1-19(2,3)16(18(25)26)21-17(24)15-13-9-5-6-10-14(13)23(22-15)12-8-4-7-11-20/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3,(H,21,24)(H,25,26)/t16-/m1/s1
InChI Key MVDXLPCBCLGFHC-MRXNPFEDSA-N
Canonical SMILES CC(C)(C)[C@@H](C(=O)O)NC(=O)c1c2ccccc2n(n1)CCCCCF
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Other Names L-Valine, N-[[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl]-3-methyl-;
(S)-2-(1-(5-Fluoropentyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoic acid;
5-Fluoro MDMB-PINACA metabolite 7

In Other Databases

ChemSpider 68003946