CID 24212833

3-(2-chloro-3-methoxyphenyl)-n-cyclohexylpropanamide

Structural Information

Molecular Formula

C₁₆H₂₂ClNO₂

SMILES

COC1=CC=CC(=C1Cl)CCC(=O)NC2CCCCC2

InChI

InChI=1S/C16H22ClNO2/c1-20-14-9-5-6-12(16(14)17)10-11-15(19)18-13-7-3-2-4-8-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,18,19)

InChIKey

UFKPAWUOCDYEFP-UHFFFAOYSA-N

Compound name

3-(2-chloro-3-methoxyphenyl)-N-cyclohexylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.1339 Da
Monoisotopic Mass: 3.8
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]+	296.141176	169.5
[M+Na]+	318.123118	174.0
[M-H]-	294.126624	174.9
[M+NH4]+	313.167723	185.2
[M+K]+	334.097058	169.3
[M+H-H2O]+	278.131160	162.5
[M+HCOO]-	340.132101	185.0
[M+CH3COO]-	354.147751	203.4
[M+Na-2H]-	316.108566	170.7
[M]+	295.13335142	168.8
[M]-	295.13444858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.