CID 3068271

2-(2,4-dichlorophenyl)-3-(4-fluorophenylthio)-1-(imidazol-1-yl)-2-propanol

Structural Information

Molecular Formula
C18H15Cl2FN2OS
SMILES
C1=CC(=CC=C1F)SCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H15Cl2FN2OS/c19-13-1-6-16(17(20)9-13)18(24,10-23-8-7-22-12-23)11-25-15-4-2-14(21)3-5-15/h1-9,12,24H,10-11H2
InChIKey
UEGXXQUBQRSKMD-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)sulfanyl-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.0266 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.03388 190.3
[M+Na]+ 419.01582 205.1
[M+NH4]+ 414.06042 198.0
[M+K]+ 434.98976 195.8
[M-H]- 395.01932 193.4
[M+Na-2H]- 417.00127 198.4
[M]+ 396.02605 194.4
[M]- 396.02715 194.4
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.