AB-CHMINACA metabolite M1B

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

ID: Reference5927

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

Formula: C20H28N4O3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

AB-CHMINACA metabolite M1B 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 11/8/2016 1:30:07 PM
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Identificators

InChI InChI=1S/C20H28N4O3/c1-12(2)17(19(21)26)22-20(27)18-15-8-3-4-9-16(15)24(23-18)11-13-6-5-7-14(25)10-13/h3-4,8-9,12-14,17,25H,5-7,10-11H2,1-2H3,(H2,21,26)(H,22,27)/t13?,14?,17-/m0/s1
InChI Key JPYMZGZGKXHPPL-KVULBXGLSA-N
Canonical SMILES O=C(N[C@@H](C(C)C)C(N)=O)C1=NN(CC2CC(O)CCC2)C3=C1C=CC=C3
CAS
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Other Names 1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-[(3-hydroxycyclohexyl)methyl]- ;
N-[(S)-1-Amino-3-methyl-1-oxobutan-2-yl]-1-[(3-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamide

In Other Databases

ChemSpider 34450860