CID 22482489

Chembl231567

Structural Information

Molecular Formula
C24H19F4N3O
SMILES
CC(=O)N(C)CC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C24H19F4N3O/c1-14(32)30(2)12-15-6-3-11-21-23(15)29-24(22-19(27)9-5-10-20(22)28)31(21)13-16-17(25)7-4-8-18(16)26/h3-11H,12-13H2,1-2H3
InChIKey
DLHBWQRROLAMTA-UHFFFAOYSA-N
Compound name
N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

441.14642 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.15370 206.0
[M+Na]+ 464.13564 217.3
[M-H]- 440.13914 211.5
[M+NH4]+ 459.18024 216.0
[M+K]+ 480.10958 209.3
[M+H-H2O]+ 424.14368 191.5
[M+HCOO]- 486.14462 223.7
[M+CH3COO]- 500.16027 215.0
[M+Na-2H]- 462.12109 203.0
[M]+ 441.14587 207.0
[M]- 441.14697 207.0
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