CID 482273

N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

Structural Information

Molecular Formula
C5H6N2O2S2
SMILES
CC(=O)NN1C(=O)CSC1=S
InChI
InChI=1S/C5H6N2O2S2/c1-3(8)6-7-4(9)2-11-5(7)10/h2H2,1H3,(H,6,8)
InChIKey
CHEDTZNVMMEMLY-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

3
Patents

189.98708 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99436 137.3
[M+Na]+ 212.97630 145.9
[M-H]- 188.97980 139.7
[M+NH4]+ 208.02090 157.7
[M+K]+ 228.95024 142.6
[M+H-H2O]+ 172.98434 131.9
[M+HCOO]- 234.98528 149.3
[M+CH3COO]- 249.00093 180.2
[M+Na-2H]- 210.96175 135.7
[M]+ 189.98653 137.3
[M]- 189.98763 137.3
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