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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08916 171.8
[M+Na]+ 340.07110 180.1
[M-H]- 316.07460 178.7
[M+NH4]+ 335.11570 187.0
[M+K]+ 356.04504 174.8
[M+H-H2O]+ 300.07914 164.6
[M+HCOO]- 362.08008 191.7
[M+CH3COO]- 376.09573 207.1
[M+Na-2H]- 338.05655 174.8
[M]+ 317.08133 176.8
[M]- 317.08243 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.