CID 492673

Chembl58494

Structural Information

Molecular Formula
C23H17F4N3O
SMILES
CC(=O)N(C)C1=CC=CC2=C1N=C(N2CC3=C(C=CC=C3F)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C23H17F4N3O/c1-13(31)29(2)19-10-5-11-20-22(19)28-23(21-17(26)8-4-9-18(21)27)30(20)12-14-15(24)6-3-7-16(14)25/h3-11H,12H2,1-2H3
InChIKey
LMRDHVZYHUDQGW-UHFFFAOYSA-N
Compound name
N-[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

427.13077 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.13805 201.3
[M+Na]+ 450.11999 213.2
[M-H]- 426.12349 207.1
[M+NH4]+ 445.16459 212.0
[M+K]+ 466.09393 205.3
[M+H-H2O]+ 410.12803 187.1
[M+HCOO]- 472.12897 219.4
[M+CH3COO]- 486.14462 210.9
[M+Na-2H]- 448.10544 198.9
[M]+ 427.13022 202.1
[M]- 427.13132 202.1
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