CID 45792444

2-(5-chloro-1-methyl-1h-imidazol-2-yl)ethanethioamide

Structural Information

Molecular Formula
C6H8ClN3S
SMILES
CN1C(=CN=C1CC(=S)N)Cl
InChI
InChI=1S/C6H8ClN3S/c1-10-4(7)3-9-6(10)2-5(8)11/h3H,2H2,1H3,(H2,8,11)
InChIKey
IYUSTRWYBNIMOS-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-methylimidazol-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.01274 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02002 138.9
[M+Na]+ 212.00196 149.9
[M+NH4]+ 207.04656 147.0
[M+K]+ 227.97590 144.1
[M-H]- 188.00546 139.6
[M+Na-2H]- 209.98741 142.8
[M]+ 189.01219 141.1
[M]- 189.01329 141.1
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.