CID 66147192

{1-[1-(4-chlorophenyl)ethyl]-2-sulfanyl-1h-imidazol-5-yl}methanol

Structural Information

Molecular Formula
C12H13ClN2OS
SMILES
CC(C1=CC=C(C=C1)Cl)N2C(=CNC2=S)CO
InChI
InChI=1S/C12H13ClN2OS/c1-8(9-2-4-10(13)5-3-9)15-11(7-16)6-14-12(15)17/h2-6,8,16H,7H2,1H3,(H,14,17)
InChIKey
VPYXUSJUBSGJJT-UHFFFAOYSA-N
Compound name
3-[1-(4-chlorophenyl)ethyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0437 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05098 156.9
[M+Na]+ 291.03292 167.3
[M-H]- 267.03642 159.4
[M+NH4]+ 286.07752 173.1
[M+K]+ 307.00686 160.1
[M+H-H2O]+ 251.04096 150.9
[M+HCOO]- 313.04190 166.8
[M+CH3COO]- 327.05755 168.4
[M+Na-2H]- 289.01837 155.6
[M]+ 268.04315 158.9
[M]- 268.04425 158.9
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.