CID 6481268

Chembl20840

Structural Information

Molecular Formula
C18H17FN2O
SMILES
COC1=CC=C(C=C1)C(CC2=CC(=CC=C2)F)N3C=CN=C3
InChI
InChI=1S/C18H17FN2O/c1-22-17-7-5-15(6-8-17)18(21-10-9-20-13-21)12-14-3-2-4-16(19)11-14/h2-11,13,18H,12H2,1H3
InChIKey
AWBLXJRLTGRLFA-UHFFFAOYSA-N
Compound name
1-[2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.13248 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13976 168.2
[M+Na]+ 319.12170 175.8
[M-H]- 295.12520 174.0
[M+NH4]+ 314.16630 182.0
[M+K]+ 335.09564 170.6
[M+H-H2O]+ 279.12974 157.2
[M+HCOO]- 341.13068 188.8
[M+CH3COO]- 355.14633 179.2
[M+Na-2H]- 317.10715 170.5
[M]+ 296.13193 168.3
[M]- 296.13303 168.3
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.