CID 1858160

N-(2-phenyl-1-(4-toluidinocarbonyl)vinyl)benzamide

Structural Information

Molecular Formula
C23H20N2O2
SMILES
CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H20N2O2/c1-17-12-14-20(15-13-17)24-23(27)21(16-18-8-4-2-5-9-18)25-22(26)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)(H,25,26)/b21-16+
InChIKey
PCDMWCUBLKTOTO-LTGZKZEYSA-N
Compound name
N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15975 186.8
[M+Na]+ 379.14169 189.8
[M-H]- 355.14519 195.5
[M+NH4]+ 374.18629 197.5
[M+K]+ 395.11563 184.3
[M+H-H2O]+ 339.14973 176.6
[M+HCOO]- 401.15067 209.3
[M+CH3COO]- 415.16632 218.4
[M+Na-2H]- 377.12714 189.1
[M]+ 356.15192 183.8
[M]- 356.15302 183.8
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.