AB-CHMINACA metabolite M6

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Systematic / IUPAC Name: N2-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-α-asparagine

ID: Reference5940

Other Names: 4-Amino-3-(1-(cyclohexylmethyl)-1H-indazole-3-carboxamido)-2-methyl-4-oxobutanoic acid

Formula: C20H26N4O4

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-CHMINACA metabolite M6 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 4
No. of Spectra 3044
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/8/2019 8:12:18 AM
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Identificators

InChI InChI=1S/C20H26N4O4/c1-12(20(27)28)16(18(21)25)22-19(26)17-14-9-5-6-10-15(14)24(23-17)11-13-7-3-2-4-8-13/h5-6,9-10,12-13,16H,2-4,7-8,11H2,1H3,(H2,21,25)(H,22,26)(H,27,28)
InChI Key DQRRHTCQQGYUSD-UHFFFAOYSA-N
Canonical SMILES O=C(NC(C(C)C(O)=O)C(N)=O)C1=NN(CC2CCCCC2)C3=C1C=CC=C3
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Other Names 4-Amino-3-(1-(cyclohexylmethyl)-1H-indazole-3-carboxamido)-2-methyl-4-oxobutanoic acid

In Other Databases

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