CID 45051334

3-(2-chloro-3-methoxyphenyl)-n-(2-methoxy-5-methylphenyl)-2-propenamide

Structural Information

Molecular Formula
C18H18ClNO3
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C18H18ClNO3/c1-12-7-9-15(22-2)14(11-12)20-17(21)10-8-13-5-4-6-16(23-3)18(13)19/h4-11H,1-3H3,(H,20,21)/b10-8+
InChIKey
FXPXGBJBYBUWHZ-CSKARUKUSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.09753 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.104806 176.1
[M+Na]+ 354.086748 184.9
[M-H]- 330.090254 183.2
[M+NH4]+ 349.131353 191.1
[M+K]+ 370.060688 179.5
[M+H-H2O]+ 314.094790 168.9
[M+HCOO]- 376.095731 195.7
[M+CH3COO]- 390.111381 211.4
[M+Na-2H]- 352.072196 177.9
[M]+ 331.09698142 181.9
[M]- 331.09807858 181.9
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.