CID 500950

2-(2-pyridyl)-1h-benzimidazole-4,7-dione

Structural Information

Molecular Formula
C12H7N3O2
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C(=O)C=CC3=O
InChI
InChI=1S/C12H7N3O2/c16-8-4-5-9(17)11-10(8)14-12(15-11)7-3-1-2-6-13-7/h1-6H,(H,14,15)
InChIKey
GDPAIHIYYCDWTH-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1H-benzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.05383 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06111 147.7
[M+Na]+ 248.04305 158.4
[M-H]- 224.04655 150.8
[M+NH4]+ 243.08765 163.9
[M+K]+ 264.01699 153.0
[M+H-H2O]+ 208.05109 139.2
[M+HCOO]- 270.05203 167.2
[M+CH3COO]- 284.06768 160.1
[M+Na-2H]- 246.02850 153.4
[M]+ 225.05328 146.5
[M]- 225.05438 146.6
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.