CID 500934

Chembl261074

Structural Information

Molecular Formula
C18H10ClFN4O2
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C(=O)C(=C(C3=O)NC4=CC=C(C=C4)F)Cl
InChI
InChI=1S/C18H10ClFN4O2/c19-12-13(22-10-6-4-9(20)5-7-10)17(26)15-14(16(12)25)23-18(24-15)11-3-1-2-8-21-11/h1-8,22H,(H,23,24)
InChIKey
MMCSEDHQQAKWNF-UHFFFAOYSA-N
Compound name
6-chloro-5-(4-fluoroanilino)-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.04764 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.05492 183.4
[M+Na]+ 391.03686 195.0
[M-H]- 367.04036 188.6
[M+NH4]+ 386.08146 194.3
[M+K]+ 407.01080 185.9
[M+H-H2O]+ 351.04490 172.4
[M+HCOO]- 413.04584 197.2
[M+CH3COO]- 427.06149 193.3
[M+Na-2H]- 389.02231 185.5
[M]+ 368.04709 183.6
[M]- 368.04819 183.6
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.