CID 16729028

Chembl234823

Structural Information

Molecular Formula
C22H19FN2O
SMILES
C1=CC=C(C=C1)C(CN2C=NC3=CC=CC=C32)OCC4=CC=C(C=C4)F
InChI
InChI=1S/C22H19FN2O/c23-19-12-10-17(11-13-19)15-26-22(18-6-2-1-3-7-18)14-25-16-24-20-8-4-5-9-21(20)25/h1-13,16,22H,14-15H2
InChIKey
KDNSMEAAGOIIEF-UHFFFAOYSA-N
Compound name
1-[2-[(4-fluorophenyl)methoxy]-2-phenylethyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.14813 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15541 182.2
[M+Na]+ 369.13735 190.3
[M-H]- 345.14085 188.8
[M+NH4]+ 364.18195 194.6
[M+K]+ 385.11129 183.2
[M+H-H2O]+ 329.14539 170.3
[M+HCOO]- 391.14633 202.3
[M+CH3COO]- 405.16198 192.4
[M+Na-2H]- 367.12280 186.0
[M]+ 346.14758 183.6
[M]- 346.14868 183.6
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.