CID 49774084

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

Structural Information

Molecular Formula
C20H12ClN3O3
SMILES
C1=CC=C2C(=C1)N=C(N2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H12ClN3O3/c21-15-9-5-13(6-10-15)19-22-17-3-1-2-4-18(17)23(19)20(25)14-7-11-16(12-8-14)24(26)27/h1-12H
InChIKey
ZMJYUXUTNAYPBK-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)benzimidazol-1-yl]-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.05673 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06401 187.2
[M+Na]+ 400.04595 195.9
[M-H]- 376.04945 195.8
[M+NH4]+ 395.09055 198.4
[M+K]+ 416.01989 185.0
[M+H-H2O]+ 360.05399 181.5
[M+HCOO]- 422.05493 205.2
[M+CH3COO]- 436.07058 209.8
[M+Na-2H]- 398.03140 192.5
[M]+ 377.05618 189.8
[M]- 377.05728 189.8
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.