CID 45051331

3-(2-chloro-3-methoxyphenyl)-n-(4-methoxyphenyl)-2-propenamide

Structural Information

Molecular Formula

C₁₇H₁₆ClNO₃

SMILES

COC1=CC=C(C=C1)NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl

InChI

InChI=1S/C17H16ClNO3/c1-21-14-9-7-13(8-10-14)19-16(20)11-6-12-4-3-5-15(22-2)17(12)18/h3-11H,1-2H3,(H,19,20)/b11-6+

InChIKey

LSASMZMYWSQSAR-IZZDOVSWSA-N

Compound name

(E)-3-(2-chloro-3-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.08188 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]+	318.089156	171.8
[M+Na]+	340.071098	180.1
[M-H]-	316.074604	178.7
[M+NH4]+	335.115703	187.0
[M+K]+	356.045038	174.8
[M+H-H2O]+	300.079140	164.6
[M+HCOO]-	362.080081	191.7
[M+CH3COO]-	376.095731	207.1
[M+Na-2H]-	338.056546	174.8
[M]+	317.08133142	176.8
[M]-	317.08242858	176.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.