CID 46937179

2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1h-imidazol-4-ol

Structural Information

Molecular Formula
C9H10N2OS2
SMILES
CSC1=NC(=C(N1)CC2=CC=CS2)O
InChI
InChI=1S/C9H10N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-4,12H,5H2,1H3,(H,10,11)
InChIKey
QWYGHJVEZLVLSU-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.02345 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03073 144.6
[M+Na]+ 249.01267 156.9
[M-H]- 225.01617 148.0
[M+NH4]+ 244.05727 164.2
[M+K]+ 264.98661 151.4
[M+H-H2O]+ 209.02071 139.5
[M+HCOO]- 271.02165 158.2
[M+CH3COO]- 285.03730 157.8
[M+Na-2H]- 246.99812 143.2
[M]+ 226.02290 148.3
[M]- 226.02400 148.3
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