CID 1655865

10263-44-2

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: 2
Patents: 313.1314 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.138676	172.8
[M+Na]+	336.120618	179.6
[M-H]-	312.124124	179.6
[M+NH4]+	331.165223	187.1
[M+K]+	352.094558	176.6
[M+H-H2O]+	296.128660	164.2
[M+HCOO]-	358.129601	197.0
[M+CH3COO]-	372.145251	208.6
[M+Na-2H]-	334.106066	175.8
[M]+	313.13085142	177.2
[M]-	313.13194858	177.2

Literature stripe

literature stripe

Patent stripe

patents stripe