CID 9908825

Chembl244358

Structural Information

Molecular Formula
C23H18F4N2
SMILES
CC(C)C1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C23H18F4N2/c1-13(2)14-6-3-11-20-22(14)28-23(21-18(26)9-5-10-19(21)27)29(20)12-15-16(24)7-4-8-17(15)25/h3-11,13H,12H2,1-2H3
InChIKey
UNUCRMRTUPPJGN-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-propan-2-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.14062 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14790 195.1
[M+Na]+ 421.12984 207.6
[M-H]- 397.13334 199.4
[M+NH4]+ 416.17444 206.8
[M+K]+ 437.10378 198.2
[M+H-H2O]+ 381.13788 181.3
[M+HCOO]- 443.13882 211.3
[M+CH3COO]- 457.15447 204.8
[M+Na-2H]- 419.11529 192.5
[M]+ 398.14007 194.5
[M]- 398.14117 194.5
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

No patent data available for this compound.