CID 493038

N-[4-(6-benzamido-1h-benzimidazol-2-yl)phenyl]benzamide

Structural Information

Molecular Formula
C27H20N4O2
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C27H20N4O2/c32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h1-17H,(H,28,32)(H,29,33)(H,30,31)
InChIKey
HNFDASCPIUGCNQ-UHFFFAOYSA-N
Compound name
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

432.15863 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16591 200.6
[M+Na]+ 455.14785 206.1
[M-H]- 431.15135 210.6
[M+NH4]+ 450.19245 207.5
[M+K]+ 471.12179 198.0
[M+H-H2O]+ 415.15589 188.7
[M+HCOO]- 477.15683 221.2
[M+CH3COO]- 491.17248 208.5
[M+Na-2H]- 453.13330 204.8
[M]+ 432.15808 198.8
[M]- 432.15918 198.8
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