CID 99506096

1290490-78-6

Structural Information

Molecular Formula
C25H22N4O2
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC=CN3C)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2/c1-17-11-12-20(16-22(17)28-24(30)18-7-4-3-5-8-18)25(31)27-21-10-6-9-19(15-21)23-26-13-14-29(23)2/h3-16H,1-2H3,(H,27,31)(H,28,30)
InChIKey
OIIYBZHRYXJCHR-UHFFFAOYSA-N
Compound name
3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

410.1743 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18158 199.6
[M+Na]+ 433.16352 205.2
[M-H]- 409.16702 210.3
[M+NH4]+ 428.20812 207.7
[M+K]+ 449.13746 198.8
[M+H-H2O]+ 393.17156 187.7
[M+HCOO]- 455.17250 221.6
[M+CH3COO]- 469.18815 208.4
[M+Na-2H]- 431.14897 200.2
[M]+ 410.17375 199.2
[M]- 410.17485 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe