CID 6272362

4-me-n-(2-(4-methylphenyl)-1-(((3-pyridinylmethyl)amino)carbonyl)vinyl)benzamide

Structural Information

Molecular Formula
C24H23N3O2
SMILES
CC1=CC=C(C=C1)/C=C(\C(=O)NCC2=CN=CC=C2)/NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C24H23N3O2/c1-17-5-9-19(10-6-17)14-22(24(29)26-16-20-4-3-13-25-15-20)27-23(28)21-11-7-18(2)8-12-21/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)/b22-14+
InChIKey
NCNHYRCJXWJMPW-HYARGMPZSA-N
Compound name
4-methyl-N-[(E)-1-(4-methylphenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.17902 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18630 195.9
[M+Na]+ 408.16824 208.8
[M+NH4]+ 403.21284 201.8
[M+K]+ 424.14218 200.9
[M-H]- 384.17174 201.9
[M+Na-2H]- 406.15369 205.3
[M]+ 385.17847 199.3
[M]- 385.17957 199.3
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.