AB-FUBINACA isomer 1

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Systematic / IUPAC Name: N-(1-Amino-1-oxopentan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide

ID: Reference8464

Other Names: 1H-Indazole-3-carboxamide, N-[1-(aminocarbonyl)butyl]-1-[(4-fluorophenyl)methyl]-;
2-({1-[(4-Fluorophenyl)methyl]indazol-3-yl}formamido)pentanamide

Formula: C20H21FN4O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-FUBINACA isomer 1 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
No. of Spectral Trees 2
No. of Spectra 2094
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2018 11:10:09 AM
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Identificators

InChI InChI=1S/C20H21FN4O2/c1-2-5-16(19(22)26)23-20(27)18-15-6-3-4-7-17(15)25(24-18)12-13-8-10-14(21)11-9-13/h3-4,6-11,16H,2,5,12H2,1H3,(H2,22,26)(H,23,27)
InChI Key VDGIZMNHDDBEBU-UHFFFAOYSA-N
Canonical SMILES O=C(NC(C(N)=O)CCC)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
CAS
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Other Names 1H-Indazole-3-carboxamide, N-[1-(aminocarbonyl)butyl]-1-[(4-fluorophenyl)methyl]-;
2-({1-[(4-Fluorophenyl)methyl]indazol-3-yl}formamido)pentanamide

In Other Databases

ChemSpider 30922439
PubChem 132451963
Cayman 9001528