CID 3019224

Einecs 280-559-7

Structural Information

Molecular Formula
C7H8N2O3S2
SMILES
CC(=O)N(C1C(=O)NC(=S)S1)C(=O)C
InChI
InChI=1S/C7H8N2O3S2/c1-3(10)9(4(2)11)6-5(12)8-7(13)14-6/h6H,1-2H3,(H,8,12,13)
InChIKey
ILYHJTNWSDVJNA-UHFFFAOYSA-N
Compound name
N-acetyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.99763 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00491 148.8
[M+Na]+ 254.98685 155.9
[M-H]- 230.99035 151.0
[M+NH4]+ 250.03145 167.2
[M+K]+ 270.96079 153.0
[M+H-H2O]+ 214.99489 143.3
[M+HCOO]- 276.99583 158.4
[M+CH3COO]- 291.01148 188.4
[M+Na-2H]- 252.97230 144.8
[M]+ 231.99708 149.0
[M]- 231.99818 149.0
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.