CID 3076477

4-thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(2-furanyl)-, (1,1,1',1'-tetroxide, (r*,r*)-(+-)-

Structural Information

Molecular Formula
C16H16N2O8S2
SMILES
C1C(=O)N([C@@H](S1(=O)=O)C2=CC=CO2)CCN3[C@@H](S(=O)(=O)CC3=O)C4=CC=CO4
InChI
InChI=1S/C16H16N2O8S2/c19-13-9-27(21,22)15(11-3-1-7-25-11)17(13)5-6-18-14(20)10-28(23,24)16(18)12-4-2-8-26-12/h1-4,7-8,15-16H,5-6,9-10H2/t15-,16-/m0/s1
InChIKey
RWQOWNAGKRFKDL-HOTGVXAUSA-N
Compound name
(2S)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.03482 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.04210 191.5
[M+Na]+ 451.02404 199.7
[M+NH4]+ 446.06864 197.8
[M+K]+ 466.99798 197.4
[M-H]- 427.02754 195.1
[M+Na-2H]- 449.00949 196.1
[M]+ 428.03427 194.5
[M]- 428.03537 194.5
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.