CID 507370

4-[[2-(2-fluorophenyl)-4-methoxy-benzimidazol-1-yl]methyl]benzonitrile

Structural Information

Molecular Formula
C22H16FN3O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4F
InChI
InChI=1S/C22H16FN3O/c1-27-20-8-4-7-19-21(20)25-22(17-5-2-3-6-18(17)23)26(19)14-16-11-9-15(13-24)10-12-16/h2-12H,14H2,1H3
InChIKey
JKPPMFCELYFDHY-UHFFFAOYSA-N
Compound name
4-[[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.12775 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13503 187.5
[M+Na]+ 380.11697 200.5
[M-H]- 356.12047 192.0
[M+NH4]+ 375.16157 198.4
[M+K]+ 396.09091 189.9
[M+H-H2O]+ 340.12501 169.4
[M+HCOO]- 402.12595 204.5
[M+CH3COO]- 416.14160 196.4
[M+Na-2H]- 378.10242 189.0
[M]+ 357.12720 184.5
[M]- 357.12830 184.5
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.