CID 49774083

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

Structural Information

Molecular Formula
C21H15N3O4
SMILES
COC1=CC=CC=C1C2=NC3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H15N3O4/c1-28-19-9-5-2-6-16(19)20-22-17-7-3-4-8-18(17)23(20)21(25)14-10-12-15(13-11-14)24(26)27/h2-13H,1H3
InChIKey
UJPLYIUKFKSWMY-UHFFFAOYSA-N
Compound name
[2-(2-methoxyphenyl)benzimidazol-1-yl]-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.10626 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11354 186.9
[M+Na]+ 396.09548 194.3
[M-H]- 372.09898 195.9
[M+NH4]+ 391.14008 197.2
[M+K]+ 412.06942 185.1
[M+H-H2O]+ 356.10352 180.4
[M+HCOO]- 418.10446 209.3
[M+CH3COO]- 432.12011 211.2
[M+Na-2H]- 394.08093 192.6
[M]+ 373.10571 188.6
[M]- 373.10681 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.