CID 492672

Chembl292923

Structural Information

Molecular Formula
C21H14F4N2O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=C(C=CC=C3F)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C21H14F4N2O/c1-28-18-10-4-9-17-20(18)26-21(19-15(24)7-3-8-16(19)25)27(17)11-12-13(22)5-2-6-14(12)23/h2-10H,11H2,1H3
InChIKey
YEFVOKDOLXVJEU-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

386.10422 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11150 189.5
[M+Na]+ 409.09344 203.1
[M-H]- 385.09694 194.1
[M+NH4]+ 404.13804 201.7
[M+K]+ 425.06738 194.3
[M+H-H2O]+ 369.10148 175.7
[M+HCOO]- 431.10242 207.5
[M+CH3COO]- 445.11807 200.0
[M+Na-2H]- 407.07889 189.2
[M]+ 386.10367 190.3
[M]- 386.10477 190.3
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