CID 468852

Chembl132374

Structural Information

Molecular Formula
C22H15F2N3
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C3=CC=C(C=C3)C#N)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C22H15F2N3/c1-14-4-2-7-20-21(14)26-22(16-10-8-15(12-25)9-11-16)27(20)13-17-18(23)5-3-6-19(17)24/h2-11H,13H2,1H3
InChIKey
GLIQDQRWOJTVRZ-UHFFFAOYSA-N
Compound name
4-[1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazol-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.1234 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13068 186.7
[M+Na]+ 382.11262 200.6
[M-H]- 358.11612 190.3
[M+NH4]+ 377.15722 197.8
[M+K]+ 398.08656 189.1
[M+H-H2O]+ 342.12066 168.1
[M+HCOO]- 404.12160 202.6
[M+CH3COO]- 418.13725 195.5
[M+Na-2H]- 380.09807 187.0
[M]+ 359.12285 182.0
[M]- 359.12395 182.0
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.