CID 45050989

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-4-methoxyphenyl)propanamide

Structural Information

Molecular Formula

C₁₈H₁₉Cl₂NO₃

SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C18H19Cl2NO3/c1-11-8-15(17(24-3)10-13(11)19)21-18(22)7-5-12-4-6-16(23-2)14(20)9-12/h4,6,8-10H,5,7H2,1-3H3,(H,21,22)

InChIKey

HLZREEBSJOSEAL-UHFFFAOYSA-N

Compound name

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-4-methoxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 367.0742 Da
Monoisotopic Mass: 4.6
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]+	368.081476	182.2
[M+Na]+	390.063418	191.9
[M-H]-	366.066924	188.8
[M+NH4]+	385.108023	196.6
[M+K]+	406.037358	185.9
[M+H-H2O]+	350.071460	176.0
[M+HCOO]-	412.072401	196.5
[M+CH3COO]-	426.088051	218.1
[M+Na-2H]-	388.048866	182.6
[M]+	367.07365142	190.5
[M]-	367.07474858	190.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.