CID 46190728

(2-bromophenyl)-[2-(4-nitrophenyl)benzimidazol-1-yl]methanone

Structural Information

Molecular Formula
C20H12BrN3O3
SMILES
C1=CC=C(C(=C1)C(=O)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)[N+](=O)[O-])Br
InChI
InChI=1S/C20H12BrN3O3/c21-16-6-2-1-5-15(16)20(25)23-18-8-4-3-7-17(18)22-19(23)13-9-11-14(12-10-13)24(26)27/h1-12H
InChIKey
SOMRKVYYQHQHHH-UHFFFAOYSA-N
Compound name
(2-bromophenyl)-[2-(4-nitrophenyl)benzimidazol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.0062 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.01348 191.7
[M+Na]+ 443.99542 202.0
[M-H]- 419.99892 202.9
[M+NH4]+ 439.04002 204.4
[M+K]+ 459.96936 186.0
[M+H-H2O]+ 404.00346 192.3
[M+HCOO]- 466.00440 212.0
[M+CH3COO]- 480.02005 214.3
[M+Na-2H]- 441.98087 198.2
[M]+ 421.00565 211.1
[M]- 421.00675 211.1
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

No patent data available for this compound.