CID 49774086

(4-nitrophenyl)-(2-phenylbenzimidazol-1-yl)methanone

Structural Information

Molecular Formula
C20H13N3O3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H13N3O3/c24-20(15-10-12-16(13-11-15)23(25)26)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14/h1-13H
InChIKey
CKLMQARULUOKGD-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-(2-phenylbenzimidazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.0957 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10298 178.8
[M+Na]+ 366.08492 186.1
[M-H]- 342.08842 187.6
[M+NH4]+ 361.12952 190.3
[M+K]+ 382.05886 176.3
[M+H-H2O]+ 326.09296 172.5
[M+HCOO]- 388.09390 201.5
[M+CH3COO]- 402.10955 205.1
[M+Na-2H]- 364.07037 185.5
[M]+ 343.09515 178.6
[M]- 343.09625 178.6
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.