CID 492676

Chembl58358

Structural Information

Molecular Formula
C22H15F4N3O
SMILES
CC(=O)NC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C22H15F4N3O/c1-12(30)27-18-9-4-10-19-21(18)28-22(20-16(25)7-3-8-17(20)26)29(19)11-13-14(23)5-2-6-15(13)24/h2-10H,11H2,1H3,(H,27,30)
InChIKey
SBIZKLILLFBQJK-UHFFFAOYSA-N
Compound name
N-[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

413.1151 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.12238 196.6
[M+Na]+ 436.10432 208.9
[M-H]- 412.10782 201.2
[M+NH4]+ 431.14892 207.3
[M+K]+ 452.07826 199.9
[M+H-H2O]+ 396.11236 182.8
[M+HCOO]- 458.11330 214.6
[M+CH3COO]- 472.12895 206.1
[M+Na-2H]- 434.08977 195.5
[M]+ 413.11455 195.9
[M]- 413.11565 195.9
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.