CID 507382

2-(2-fluorophenyl)-4-methoxy-1-(4-pyridylmethyl)benzimidazole

Structural Information

Molecular Formula
C20H16FN3O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=CC=NC=C3)C4=CC=CC=C4F
InChI
InChI=1S/C20H16FN3O/c1-25-18-8-4-7-17-19(18)23-20(15-5-2-3-6-16(15)21)24(17)13-14-9-11-22-12-10-14/h2-12H,13H2,1H3
InChIKey
LZEXGGLEHIGGFR-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-(pyridin-4-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.12775 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13503 178.7
[M+Na]+ 356.11697 189.9
[M-H]- 332.12047 185.0
[M+NH4]+ 351.16157 191.0
[M+K]+ 372.09091 182.4
[M+H-H2O]+ 316.12501 166.6
[M+HCOO]- 378.12595 199.1
[M+CH3COO]- 392.14160 189.7
[M+Na-2H]- 354.10242 183.1
[M]+ 333.12720 181.4
[M]- 333.12830 181.4
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.