MMB-CHMICA

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Systematic / IUPAC Name: Methyl 2-{[1-(cyclohexylmethyl)indole-3-carbonyl]amino}-3-methylbutanoate

ID: Reference5813

Other Names: Methyl N-[1-(cyclohexylmethyl)-1H-indole-3-carbonyl)valinate

Formula: C22H30N2O3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

MMB-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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/24/2016 10:51:55 AM
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Identificators

InChI InChI=1S/C22H30N2O3/c1-15(2)20(22(26)27-3)23-21(25)18-14-24(13-16-9-5-4-6-10-16)19-12-8-7-11-17(18)19/h7-8,11-12,14-16,20H,4-6,9-10,13H2,1-3H3,(H,23,25)
InChI Key ROWZIXRLVUOMCJ-FQEVSTJZSA-N
Canonical SMILES CC(C)C(C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CC3CCCCC3
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Other Names Methyl N-[1-(cyclohexylmethyl)-1H-indole-3-carbonyl)valinate

In Other Databases

PubChem 121494125