CID 468859

Chembl336111

Structural Information

Molecular Formula
C20H15F2N3
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=CN=CC=C4
InChI
InChI=1S/C20H15F2N3/c1-13-5-2-9-17-19(13)24-20(18-15(21)7-3-8-16(18)22)25(17)12-14-6-4-10-23-11-14/h2-11H,12H2,1H3
InChIKey
HZKVXZQEIHGVAB-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-4-methyl-1-(pyridin-3-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

335.1234 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13068 179.1
[M+Na]+ 358.11262 191.5
[M-H]- 334.11612 184.4
[M+NH4]+ 353.15722 191.7
[M+K]+ 374.08656 182.8
[M+H-H2O]+ 318.12066 166.4
[M+HCOO]- 380.12160 198.3
[M+CH3COO]- 394.13725 190.1
[M+Na-2H]- 356.09807 182.1
[M]+ 335.12285 179.9
[M]- 335.12395 179.9
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