CID 45051301

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

Structural Information

Molecular Formula
C18H18ClNO2
SMILES
CC1=CC(=C(C=C1)NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl)C
InChI
InChI=1S/C18H18ClNO2/c1-12-7-9-15(13(2)11-12)20-17(21)10-8-14-5-4-6-16(22-3)18(14)19/h4-11H,1-3H3,(H,20,21)/b10-8+
InChIKey
KGKKCGKCZCAQHE-CSKARUKUSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1026 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10988 173.7
[M+Na]+ 338.09182 188.8
[M+NH4]+ 333.13642 181.7
[M+K]+ 354.06576 179.9
[M-H]- 314.09532 178.5
[M+Na-2H]- 336.07727 181.7
[M]+ 315.10205 177.6
[M]- 315.10315 177.6
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.