ADB-PINACA pentanoic acid metabolite

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Systematic / IUPAC Name: 5-{3-[(1-Amino-3,3-dimethyl-1-oxo-2-butanyl)carbamoyl]-1H-indazol-1-yl}pentanoic acid

ID: Reference4953

Other Names: 1H-Indazole-1-pentanoic acid, 3-({[1-(aminocarbonyl)-2,2-dimethylpropyl]amino}carbonyl)-

Formula: C19H26N4O4

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

ADB-PINACA 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/4/2016 7:43:56 AM
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Identificators

InChI InChI=1S/C19H26N4O4/c1-19(2,3)16(17(20)26)21-18(27)15-12-8-4-5-9-13(12)23(22-15)11-7-6-10-14(24)25/h4-5,8-9,16H,6-7,10-11H2,1-3H3,(H2,20,26)(H,21,27)(H,24,25)
InChI Key IVHZMDPVHMCCKJ-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C(C(=O)N)NC(=O)c1c2ccccc2n(n1)CCCCC(=O)O
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Other Names 1H-Indazole-1-pentanoic acid, 3-({[1-(aminocarbonyl)-2,2-dimethylpropyl]amino}carbonyl)-

In Other Databases

ChemSpider 29763745