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 187.5
[M+Na]+ 451.02404 200.5
[M-H]- 427.02754 202.1
[M+NH4]+ 446.06864 204.4
[M+K]+ 466.99798 200.4
[M+H-H2O]+ 411.03208 188.1
[M+HCOO]- 473.03302 202.4
[M+CH3COO]- 487.04867 200.6
[M+Na-2H]- 449.00949 184.9
[M]+ 428.03427 198.6
[M]- 428.03537 198.6
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.