CID 5274842

Chembl360633

Structural Information

Molecular Formula
C19H13FN4O
SMILES
C1=CC=C(C(=C1)NC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CN=CC=C4)F
InChI
InChI=1S/C19H13FN4O/c20-14-7-1-2-8-15(14)23-19(25)13-6-3-9-16-17(13)24-18(22-16)12-5-4-10-21-11-12/h1-11H,(H,22,24)(H,23,25)
InChIKey
ZCHKCLPVSFQUFC-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.10733 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11461 174.9
[M+Na]+ 355.09655 184.3
[M-H]- 331.10005 180.0
[M+NH4]+ 350.14115 185.9
[M+K]+ 371.07049 176.2
[M+H-H2O]+ 315.10459 163.4
[M+HCOO]- 377.10553 194.6
[M+CH3COO]- 391.12118 185.0
[M+Na-2H]- 353.08200 180.3
[M]+ 332.10678 173.4
[M]- 332.10788 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.