AB-CHMICA

Systematic / IUPAC Name: (S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-1H-indole-3-carboxamide

ID: Reference5801

Other Names:

Formula: C21H29N3O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-CHMICA 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 3
No. of Spectra 1054
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/18/2018 1:06:56 PM
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Identificators

InChI 1S/C21H29N3O2/c1-14(2)19(20(22)25)23-21(26)17-13-24(12-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h6-7,10-11,13-15,19H,3-5,8-9,12H2,1-2H3,(H2,22,25)(H,23,26)/t19-/m0/s1
InChI Key BLLKAWANSRRHLA-IBGZPJMESA-N
Canonical SMILES O=C(N[C@H](C(N)=O)C(C)C)C1=CN(CC2CCCCC2)C3=C1C=CC=C3
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