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]+ 403.165236 197.2
[M+Na]+ 425.147178 200.2
[M-H]- 401.150684 206.1
[M+NH4]+ 420.191783 206.1
[M+K]+ 441.121118 196.2
[M+H-H2O]+ 385.155220 186.4
[M+HCOO]- 447.156161 219.7
[M+CH3COO]- 461.171811 226.9
[M+Na-2H]- 423.132626 198.5
[M]+ 402.15741142 197.7
[M]- 402.15850858 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.