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

literature stripe

Patent stripe

patents stripe