CID 492681

Chembl292831

Structural Information

Molecular Formula
C21H14F4N2O
SMILES
C1=CC(=C2C(=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F)CO
InChI
InChI=1S/C21H14F4N2O/c22-14-5-2-6-15(23)13(14)10-27-18-9-1-4-12(11-28)20(18)26-21(27)19-16(24)7-3-8-17(19)25/h1-9,28H,10-11H2
InChIKey
MGYZUCIETLMBFX-UHFFFAOYSA-N
Compound name
[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

386.10422 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11150 189.1
[M+Na]+ 409.09344 202.3
[M-H]- 385.09694 192.4
[M+NH4]+ 404.13804 200.7
[M+K]+ 425.06738 192.7
[M+H-H2O]+ 369.10148 175.8
[M+HCOO]- 431.10242 205.8
[M+CH3COO]- 445.11807 199.0
[M+Na-2H]- 407.07889 188.5
[M]+ 386.10367 188.2
[M]- 386.10477 188.2
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