CID 49774123

[2-(3-nitrophenyl)benzimidazol-1-yl]-(4-pyridyl)methanone

Structural Information

Molecular Formula
C19H12N4O3
SMILES
C1=CC=C2C(=C1)N=C(N2C(=O)C3=CC=NC=C3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H12N4O3/c24-19(13-8-10-20-11-9-13)22-17-7-2-1-6-16(17)21-18(22)14-4-3-5-15(12-14)23(25)26/h1-12H
InChIKey
JRSFJPKTSBKPBB-UHFFFAOYSA-N
Compound name
[2-(3-nitrophenyl)benzimidazol-1-yl]-pyridin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.09094 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09822 177.7
[M+Na]+ 367.08016 185.5
[M-H]- 343.08366 185.5
[M+NH4]+ 362.12476 187.8
[M+K]+ 383.05410 175.6
[M+H-H2O]+ 327.08820 170.8
[M+HCOO]- 389.08914 199.5
[M+CH3COO]- 403.10479 204.9
[M+Na-2H]- 365.06561 185.4
[M]+ 344.09039 177.6
[M]- 344.09149 177.6
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.