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

literature stripe

Patent stripe

patents stripe