CID 24212629

3-(3-chloro-4-methoxyphenyl)-n-(3-chlorophenyl)propanamide

Structural Information

Molecular Formula

C₁₆H₁₅Cl₂NO₂

SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC=C2)Cl)Cl

InChI

InChI=1S/C16H15Cl2NO2/c1-21-15-7-5-11(9-14(15)18)6-8-16(20)19-13-4-2-3-12(17)10-13/h2-5,7,9-10H,6,8H2,1H3,(H,19,20)

InChIKey

VEACLOMDRSZBPU-UHFFFAOYSA-N

Compound name

3-(3-chloro-4-methoxyphenyl)-N-(3-chlorophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.04797 Da
Monoisotopic Mass: 4.2
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]+	324.055246	171.0
[M+Na]+	346.037188	179.9
[M-H]-	322.040694	177.1
[M+NH4]+	341.081793	186.5
[M+K]+	362.011128	173.4
[M+H-H2O]+	306.045230	164.8
[M+HCOO]-	368.046171	185.7
[M+CH3COO]-	382.061821	207.7
[M+Na-2H]-	344.022636	173.7
[M]+	323.04742142	176.3
[M]-	323.04851858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.