CID 3008319

215303-72-3

Structural Information

Molecular Formula
C27H24FN3O
SMILES
C1=CC=C(C=C1)CCCN2C(=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F)C#CCCO
InChI
InChI=1S/C27H24FN3O/c28-24-13-11-22(12-14-24)26-27(23-15-17-29-18-16-23)31(25(30-26)10-4-5-20-32)19-6-9-21-7-2-1-3-8-21/h1-3,7-8,11-18,32H,5-6,9,19-20H2
InChIKey
QSUSKMBNZQHHPA-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-ylimidazol-2-yl]but-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

1553
Patents

425.19034 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.19762 204.3
[M+Na]+ 448.17956 213.2
[M-H]- 424.18306 205.5
[M+NH4]+ 443.22416 208.8
[M+K]+ 464.15350 200.7
[M+H-H2O]+ 408.18760 184.3
[M+HCOO]- 470.18854 214.8
[M+CH3COO]- 484.20419 209.3
[M+Na-2H]- 446.16501 201.5
[M]+ 425.18979 197.3
[M]- 425.19089 197.3
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