CID 6477408

Nsc659440

Structural Information

Molecular Formula
C24H22N2O4
SMILES
COC1=C(C=C(C=C1)/C=C(/C(=O)NC2=CC=CC=C2)\NC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C24H22N2O4/c1-29-21-14-13-17(16-22(21)30-2)15-20(24(28)25-19-11-7-4-8-12-19)26-23(27)18-9-5-3-6-10-18/h3-16H,1-2H3,(H,25,28)(H,26,27)/b20-15-
InChIKey
GATCBTVDOISSPX-HKWRFOASSA-N
Compound name
N-[(Z)-3-anilino-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.15796 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16524 197.2
[M+Na]+ 425.14718 200.2
[M-H]- 401.15068 206.1
[M+NH4]+ 420.19178 206.1
[M+K]+ 441.12112 196.2
[M+H-H2O]+ 385.15522 186.4
[M+HCOO]- 447.15616 219.7
[M+CH3COO]- 461.17181 226.9
[M+Na-2H]- 423.13263 198.5
[M]+ 402.15741 197.7
[M]- 402.15851 197.7
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.