CID 3057197

Alpha-(p-methylthiophenyl)-1-imidazoleethanol

Structural Information

Molecular Formula
C12H14N2OS
SMILES
CSC1=CC=C(C=C1)C(CN2C=CN=C2)O
InChI
InChI=1S/C12H14N2OS/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3
InChIKey
UXPKQVHJINQFMF-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.08269 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08997 151.7
[M+Na]+ 257.07191 164.1
[M+NH4]+ 252.11651 160.0
[M+K]+ 273.04585 157.4
[M-H]- 233.07541 154.3
[M+Na-2H]- 255.05736 158.6
[M]+ 234.08214 154.6
[M]- 234.08324 154.6
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

patents stripe