CID 500935

Chembl61813

Structural Information

Molecular Formula
C18H10Cl2N4O2
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C(=O)C(=C(C3=O)NC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H10Cl2N4O2/c19-9-4-6-10(7-5-9)22-13-12(20)16(25)14-15(17(13)26)24-18(23-14)11-3-1-2-8-21-11/h1-8,22H,(H,23,24)
InChIKey
PSQOXAOZNHIMKR-UHFFFAOYSA-N
Compound name
6-chloro-5-(4-chloroanilino)-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

384.01807 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02535 186.8
[M+Na]+ 407.00729 198.5
[M-H]- 383.01079 192.4
[M+NH4]+ 402.05189 197.6
[M+K]+ 422.98123 189.3
[M+H-H2O]+ 367.01533 177.0
[M+HCOO]- 429.01627 196.4
[M+CH3COO]- 443.03192 196.4
[M+Na-2H]- 404.99274 188.6
[M]+ 384.01752 189.2
[M]- 384.01862 189.2
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.