CID 6070654

329778-86-1

Structural Information

Molecular Formula
C20H20N2O4
SMILES
COC1=C(C(=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)CC#N)OC)OC
InChI
InChI=1S/C20H20N2O4/c1-24-17-10-6-15(19(25-2)20(17)26-3)7-11-18(23)22-16-8-4-14(5-9-16)12-13-21/h4-11H,12H2,1-3H3,(H,22,23)/b11-7+
InChIKey
QRMKBVYJLRCIIZ-YRNVUSSQSA-N
Compound name
(E)-N-[4-(cyanomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 185.9
[M+Na]+ 375.13152 194.8
[M-H]- 351.13502 191.2
[M+NH4]+ 370.17612 197.2
[M+K]+ 391.10546 190.0
[M+H-H2O]+ 335.13956 170.8
[M+HCOO]- 397.14050 205.5
[M+CH3COO]- 411.15615 225.6
[M+Na-2H]- 373.11697 186.5
[M]+ 352.14175 185.3
[M]- 352.14285 185.3
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.