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]+ 353.149576 185.9
[M+Na]+ 375.131518 194.8
[M-H]- 351.135024 191.2
[M+NH4]+ 370.176123 197.2
[M+K]+ 391.105458 190.0
[M+H-H2O]+ 335.139560 170.8
[M+HCOO]- 397.140501 205.5
[M+CH3COO]- 411.156151 225.6
[M+Na-2H]- 373.116966 186.5
[M]+ 352.14175142 185.3
[M]- 352.14284858 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.