CID 45051303

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

Structural Information

Molecular Formula
C18H18ClNO3
SMILES
CCOC1=CC=C(C=C1)NC(=O)/C=C/C2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C18H18ClNO3/c1-3-23-15-10-8-14(9-11-15)20-17(21)12-7-13-5-4-6-16(22-2)18(13)19/h4-12H,3H2,1-2H3,(H,20,21)/b12-7+
InChIKey
SVAULIWKZJWSEW-KPKJPENVSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-(4-ethoxyphenyl)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]+ 332.10481 176.4
[M+Na]+ 354.08675 184.3
[M-H]- 330.09025 183.1
[M+NH4]+ 349.13135 191.1
[M+K]+ 370.06069 178.7
[M+H-H2O]+ 314.09479 169.0
[M+HCOO]- 376.09573 196.0
[M+CH3COO]- 390.11138 210.1
[M+Na-2H]- 352.07220 178.9
[M]+ 331.09698 181.8
[M]- 331.09808 181.8
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.