CID 469986

3-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)ethyl]-1,3-thiazolidine 1,1-dioxide

Structural Information

Molecular Formula
C8H16N2O4S2
SMILES
C1CS(=O)(=O)CN1CCN2CCS(=O)(=O)C2
InChI
InChI=1S/C8H16N2O4S2/c11-15(12)5-3-9(7-15)1-2-10-4-6-16(13,14)8-10/h1-8H2
InChIKey
GQOIUBKIHHYSOR-UHFFFAOYSA-N
Compound name
3-[2-(1,1-dioxo-1,3-thiazolidin-3-yl)ethyl]-1,3-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.05515 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06243 153.7
[M+Na]+ 291.04437 163.3
[M-H]- 267.04787 157.7
[M+NH4]+ 286.08897 175.5
[M+K]+ 307.01831 160.9
[M+H-H2O]+ 251.05241 150.1
[M+HCOO]- 313.05335 164.5
[M+CH3COO]- 327.06900 186.5
[M+Na-2H]- 289.02982 153.5
[M]+ 268.05460 156.1
[M]- 268.05570 156.1
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.