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]+ 386.186296 195.3
[M+Na]+ 408.168238 198.7
[M-H]- 384.171744 202.9
[M+NH4]+ 403.212843 203.8
[M+K]+ 424.142178 192.9
[M+H-H2O]+ 368.176280 184.2
[M+HCOO]- 430.177221 216.2
[M+CH3COO]- 444.192871 225.2
[M+Na-2H]- 406.153686 196.8
[M]+ 385.17847142 193.6
[M]- 385.17956858 193.6
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.