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 197.2
[M+Na]+ 473.05599 208.4
[M-H]- 449.05949 205.9
[M+NH4]+ 468.10059 208.8
[M+K]+ 489.02993 203.1
[M+H-H2O]+ 433.06403 190.8
[M+HCOO]- 495.06497 206.4
[M+CH3COO]- 509.08062 206.6
[M+Na-2H]- 471.04144 195.1
[M]+ 450.06622 202.1
[M]- 450.06732 202.1
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.