CID 468850

199594-75-7

Structural Information

Molecular Formula
C20H15F2N3
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C3=CC=NC=C3)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C20H15F2N3/c1-13-4-2-7-18-19(13)24-20(14-8-10-23-11-9-14)25(18)12-15-16(21)5-3-6-17(15)22/h2-11H,12H2,1H3
InChIKey
KVKNXIWANBJVAP-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]-4-methyl-2-pyridin-4-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.