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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.