CID 5169

152121-30-7

Structural Information

Molecular Formula
C20H14FN3O
SMILES
C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
InChIKey
QHKYPYXTTXKZST-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

808
References

1189
Patents

331.1121 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11938 176.8
[M+Na]+ 354.10132 186.0
[M-H]- 330.10482 182.6
[M+NH4]+ 349.14592 186.3
[M+K]+ 370.07526 177.1
[M+H-H2O]+ 314.10936 164.9
[M+HCOO]- 376.11030 194.4
[M+CH3COO]- 390.12595 186.4
[M+Na-2H]- 352.08677 179.1
[M]+ 331.11155 173.3
[M]- 331.11265 173.3
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

patents stripe