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

No literature data available for this compound.

Patent stripe

patents stripe