CID 45051321

3-(2-chloro-3-methoxyphenyl)-n-(2-methylphenyl)-2-propenamide

Structural Information

Molecular Formula

C₁₇H₁₆ClNO₂

SMILES

CC1=CC=CC=C1NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl

InChI

InChI=1S/C17H16ClNO2/c1-12-6-3-4-8-14(12)19-16(20)11-10-13-7-5-9-15(21-2)17(13)18/h3-11H,1-2H3,(H,19,20)/b11-10+

InChIKey

OAJKWAYDALDZJB-ZHACJKMWSA-N

Compound name

(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.08694 Da
Monoisotopic Mass: 4.1
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]+	302.094216	169.0
[M+Na]+	324.076158	177.4
[M-H]-	300.079664	175.8
[M+NH4]+	319.120763	185.0
[M+K]+	340.050098	171.4
[M+H-H2O]+	284.084200	162.0
[M+HCOO]-	346.085141	188.7
[M+CH3COO]-	360.100791	205.0
[M+Na-2H]-	322.061606	171.9
[M]+	301.08639142	172.6
[M]-	301.08748858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.