CID 492680

Chembl292138

Structural Information

Molecular Formula
C21H13F4N3O
SMILES
C1=CC(=C2C(=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F)C(=O)N
InChI
InChI=1S/C21H13F4N3O/c22-13-5-2-6-14(23)12(13)10-28-17-9-1-4-11(20(26)29)19(17)27-21(28)18-15(24)7-3-8-16(18)25/h1-9H,10H2,(H2,26,29)
InChIKey
XLASIXRCZDFALS-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

399.0995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.10678 192.4
[M+Na]+ 422.08872 205.0
[M-H]- 398.09222 196.7
[M+NH4]+ 417.13332 203.3
[M+K]+ 438.06266 195.9
[M+H-H2O]+ 382.09676 178.8
[M+HCOO]- 444.09770 210.1
[M+CH3COO]- 458.11335 202.1
[M+Na-2H]- 420.07417 190.9
[M]+ 399.09895 190.5
[M]- 399.10005 190.5
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.