AB-CHMINACA metabolite M7

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Systematic / IUPAC Name: N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methylaspartic acid

ID: Reference5948

Other Names: 2-[1-(Cyclohexylmethyl)-1H-indazole-3-carboxamido]-3-methylsuccinic acid ;
Aspartic acid, N-{[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-

Formula: C20H25N3O5

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-CHMINACA metabolite M7 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 5
No. of Spectra 5293
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/8/2019 8:14:21 AM
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Identificators

InChI InChI=1S/C20H25N3O5/c1-12(19(25)26)16(20(27)28)21-18(24)17-14-9-5-6-10-15(14)23(22-17)11-13-7-3-2-4-8-13/h5-6,9-10,12-13,16H,2-4,7-8,11H2,1H3,(H,21,24)(H,25,26)(H,27,28)
InChI Key KORXLQCISNSYKQ-UHFFFAOYSA-N
Canonical SMILES O=C(NC(C(C)C(O)=O)C(O)=O)C1=NN(CC2CCCCC2)C3=C1C=CC=C3
CAS
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Other Names 2-[1-(Cyclohexylmethyl)-1H-indazole-3-carboxamido]-3-methylsuccinic acid ;
Aspartic acid, N-{[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-

In Other Databases

ChemSpider 32741675