MAB-CHMINACA metabolite M2

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Systematic / IUPAC Name: (2S)-2-{[1-(Cyclohexylmethyl)indazole-3-carbonyl]amino}-3,3-dimethylbutanoic acid

ID: Reference5996

Other Names: ADB-CHMINACA metabolite M2 ;
(S)-2-[1-(Cyclohexylmethyl)-1H-indazole-3-carboxamido]-3,3-dimethylbutanoic acid

Formula: C21H29N3O3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

MAB-CHMINACA metabolite M2 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 4
No. of Spectra 461
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/26/2017 7:34:12 AM
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Identificators

InChI InChI=1S/C21H29N3O3/c1-21(2,3)18(20(26)27)22-19(25)17-15-11-7-8-12-16(15)24(23-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H,22,25)(H,26,27)/t18-/m1/s1
InChI Key BDFKDDNZVYVPRC-GOSISDBHSA-N
Canonical SMILES CC(C)(C)C(C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3
CAS 1185889126
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Other Names ADB-CHMINACA metabolite M2 ;
(S)-2-[1-(Cyclohexylmethyl)-1H-indazole-3-carboxamido]-3,3-dimethylbutanoic acid

In Other Databases

PubChem 70969675