CID 4382016

2-cyano-n-(cyclohexylcarbamoyl)-n-ethylacetamide

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₂

SMILES

CCN(C(=O)CC#N)C(=O)NC1CCCCC1

InChI

InChI=1S/C12H19N3O2/c1-2-15(11(16)8-9-13)12(17)14-10-6-4-3-5-7-10/h10H,2-8H2,1H3,(H,14,17)

InChIKey

CSUWCVAEBNREIS-UHFFFAOYSA-N

Compound name

2-cyano-N-(cyclohexylcarbamoyl)-N-ethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.14772 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.154996	157.7
[M+Na]+	260.136938	161.8
[M-H]-	236.140444	160.7
[M+NH4]+	255.181543	172.9
[M+K]+	276.110878	160.8
[M+H-H2O]+	220.144980	144.1
[M+HCOO]-	282.145921	174.8
[M+CH3COO]-	296.161571	208.7
[M+Na-2H]-	258.122386	158.5
[M]+	237.14717142	149.2
[M]-	237.14826858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.