CID 651943

4-amino-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C6H9N3OS2
SMILES
CCN1C(=C(SC1=S)C(=O)N)N
InChI
InChI=1S/C6H9N3OS2/c1-2-9-4(7)3(5(8)10)12-6(9)11/h2,7H2,1H3,(H2,8,10)
InChIKey
RXDZEBJWHTXTRV-UHFFFAOYSA-N
Compound name
4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

0
Patents

203.0187 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02598 139.4
[M+Na]+ 226.00792 149.3
[M-H]- 202.01142 141.5
[M+NH4]+ 221.05252 159.0
[M+K]+ 241.98186 144.3
[M+H-H2O]+ 186.01596 133.5
[M+HCOO]- 248.01690 153.0
[M+CH3COO]- 262.03255 186.8
[M+Na-2H]- 223.99337 137.1
[M]+ 203.01815 139.4
[M]- 203.01925 139.4
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

No patent data available for this compound.