MAB-CHMINACA metabolite M3

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Systematic / IUPAC Name: (S)-2-{1-[(4-hydroxycyclohexyl)methyl]-1H-indazole-3-carboxamido}-3,3-dimethylbutanoic acid

ID: Reference6000

Other Names: ADB-CHMINACA metabolite M3

Formula: C21H29N3O4

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

MAB-CHMINACA metabolite M3 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 460
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/26/2017 7:35:43 AM
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Identificators

InChI 1S/C21H29N3O4/c1-21(2,3)18(20(27)28)22-19(26)17-15-6-4-5-7-16(15)24(23-17)12-13-8-10-14(25)11-9-13/h4-7,13-14,18,25H,8-12H2,1-3H3,(H,22,26)(H,27,28)/t13?,14?,18-/m1/s1
InChI Key HWEQMPAYSNTICF-WTNGLUPJSA-N
Canonical SMILES O=C(N[C@H](C(O)=O)C(C)(C)C)C1=NN(CC2CCC(O)CC2)C3=C1C=CC=C3
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Other Names ADB-CHMINACA metabolite M3

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