CID 500927

Chembl64293

Structural Information

Molecular Formula
C18H11FN4O2
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C(=O)C(=CC3=O)NC4=CC=C(C=C4)F
InChI
InChI=1S/C18H11FN4O2/c19-10-4-6-11(7-5-10)21-13-9-14(24)15-16(17(13)25)23-18(22-15)12-3-1-2-8-20-12/h1-9,21H,(H,22,23)
InChIKey
CURFIOPSBYETEU-UHFFFAOYSA-N
Compound name
6-(4-fluoroanilino)-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.0866 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09388 175.9
[M+Na]+ 357.07582 186.0
[M-H]- 333.07932 181.1
[M+NH4]+ 352.12042 187.1
[M+K]+ 373.04976 178.1
[M+H-H2O]+ 317.08386 164.6
[M+HCOO]- 379.08480 194.4
[M+CH3COO]- 393.10045 186.0
[M+Na-2H]- 355.06127 179.3
[M]+ 334.08605 173.4
[M]- 334.08715 173.4
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.