CID 3076483

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

Structural Information

Molecular Formula
C18H18N4O6S2
SMILES
C1C(=O)N([C@@H](S1(=O)=O)C2=CC=CC=N2)CCN3[C@@H](S(=O)(=O)CC3=O)C4=CC=CC=N4
InChI
InChI=1S/C18H18N4O6S2/c23-15-11-29(25,26)17(13-5-1-3-7-19-13)21(15)9-10-22-16(24)12-30(27,28)18(22)14-6-2-4-8-20-14/h1-8,17-18H,9-12H2/t17-,18-/m0/s1
InChIKey
FNISPZLCMYWDQO-ROUUACIJSA-N
Compound name
(2S)-1,1-dioxo-2-pyridin-2-yl-3-[2-[(2S)-1,1,4-trioxo-2-pyridin-2-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.06677 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.07405 198.3
[M+Na]+ 473.05599 208.9
[M+NH4]+ 468.10059 204.6
[M+K]+ 489.02993 200.8
[M-H]- 449.05949 200.1
[M+Na-2H]- 471.04144 205.9
[M]+ 450.06622 201.2
[M]- 450.06732 201.2
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.