AB-PINACA

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Systematic / IUPAC Name: N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-pentyl-1H-indazole-3-carboxamide

ID: Reference5709

Other Names: (S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-pentyl-

Formula: C18H26N4O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-PINACA 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 Orbitrap Fusion with FAIMS ; Q Exactive Plus Orbitrap
No. of Spectral Trees 6
No. of Spectra 2195
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/14/2018 11:45:40 AM
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Identificators

InChI InChI=1S/C18H26N4O2/c1-4-5-8-11-22-14-10-7-6-9-13(14)16(21-22)18(24)20-15(12(2)3)17(19)23/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H2,19,23)(H,20,24)/t15-/m0/s1
InChI Key GIMHPAQOAAZSHS-HNNXBMFYSA-N
Canonical SMILES CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC(C(C)C)C(=O)N
CAS 1445752099
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Other Names (S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-pentyl-

In Other Databases

ChemSpider 28537615
Wikipedia AB-PINACA
PubChem 71301472