CID 1655865

3,4,5-trimethoxycinnamanilide

Structural Information

Molecular Formula
C18H19NO4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H19NO4/c1-21-15-11-13(12-16(22-2)18(15)23-3)9-10-17(20)19-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,19,20)/b10-9+
InChIKey
NAMIBPVVEFIUEE-MDZDMXLPSA-N
Compound name
(E)-N-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.1314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 172.8
[M+Na]+ 336.12062 179.6
[M-H]- 312.12412 179.6
[M+NH4]+ 331.16522 187.1
[M+K]+ 352.09456 176.6
[M+H-H2O]+ 296.12866 164.2
[M+HCOO]- 358.12960 197.0
[M+CH3COO]- 372.14525 208.6
[M+Na-2H]- 334.10607 175.8
[M]+ 313.13085 177.2
[M]- 313.13195 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe