CID 500949

Chembl291601

Structural Information

Molecular Formula
C12H5Cl2N3O2
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C(=O)C(=C(C3=O)Cl)Cl
InChI
InChI=1S/C12H5Cl2N3O2/c13-6-7(14)11(19)9-8(10(6)18)16-12(17-9)5-3-1-2-4-15-5/h1-4H,(H,16,17)
InChIKey
PXCDFHDNVMXKSR-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.9759 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.98318 160.7
[M+Na]+ 315.96512 173.9
[M-H]- 291.96862 163.3
[M+NH4]+ 311.00972 175.8
[M+K]+ 331.93906 166.2
[M+H-H2O]+ 275.97316 153.0
[M+HCOO]- 337.97410 170.0
[M+CH3COO]- 351.98975 172.3
[M+Na-2H]- 313.95057 163.4
[M]+ 292.97535 163.2
[M]- 292.97645 163.2
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.