CID 44427645

Chembl397900

Structural Information

Molecular Formula
C23H17F4N3O
SMILES
CN(C)C(=O)C1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C23H17F4N3O/c1-29(2)23(31)13-6-3-11-19-21(13)28-22(20-17(26)9-5-10-18(20)27)30(19)12-14-15(24)7-4-8-16(14)25/h3-11H,12H2,1-2H3
InChIKey
MGDXFZFVPIFVLI-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-N,N-dimethylbenzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

427.13077 Da
Monoisotopic Mass

4.6
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