CID 46190727

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

Structural Information

Molecular Formula
C20H12N4O5
SMILES
C1=CC=C2C(=C1)N=C(N2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H12N4O5/c25-20(14-7-11-16(12-8-14)24(28)29)22-18-4-2-1-3-17(18)21-19(22)13-5-9-15(10-6-13)23(26)27/h1-12H
InChIKey
APYUNXVMTDBEDJ-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-[2-(4-nitrophenyl)benzimidazol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.08078 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08806 188.9
[M+Na]+ 411.07000 193.7
[M-H]- 387.07350 197.6
[M+NH4]+ 406.11460 196.8
[M+K]+ 427.04394 180.8
[M+H-H2O]+ 371.07804 186.4
[M+HCOO]- 433.07898 211.2
[M+CH3COO]- 447.09463 208.2
[M+Na-2H]- 409.05545 197.1
[M]+ 388.08023 186.8
[M]- 388.08133 186.8
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

No patent data available for this compound.