CID 3057026

Alpha-(m-phenylthiophenyl)-1-imidazoleethanol monohydrochloride

Structural Information

Molecular Formula
C17H16N2OS
SMILES
C1=CC=C(C=C1)SC2=CC=CC(=C2)C(CN3C=CN=C3)O
InChI
InChI=1S/C17H16N2OS/c20-17(12-19-10-9-18-13-19)14-5-4-8-16(11-14)21-15-6-2-1-3-7-15/h1-11,13,17,20H,12H2
InChIKey
PNUXYAXTGBLSBX-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(3-phenylsulfanylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09833 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 166.9
[M+Na]+ 319.08755 181.4
[M+NH4]+ 314.13215 175.6
[M+K]+ 335.06149 173.1
[M-H]- 295.09105 172.3
[M+Na-2H]- 317.07300 176.9
[M]+ 296.09778 171.1
[M]- 296.09888 171.1
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.