CID 1269467

1,4-phenylenebis(5-methylenethiazolidine-2,4-dione)

Structural Information

Molecular Formula
C14H8N2O4S2
SMILES
C1=CC(=CC=C1/C=C/2\SC(=O)NC2=O)/C=C/3\SC(=O)NC3=O
InChI
InChI=1S/C14H8N2O4S2/c17-11-9(21-13(19)15-11)5-7-1-2-8(4-3-7)6-10-12(18)16-14(20)22-10/h1-6H,(H,15,17,19)(H,16,18,20)/b9-5-,10-6-
InChIKey
ITINUZZELLXHMU-OZDSWYPASA-N
Compound name
(5Z)-5-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.99255 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.99983 176.7
[M+Na]+ 354.98177 186.1
[M-H]- 330.98527 181.8
[M+NH4]+ 350.02637 191.0
[M+K]+ 370.95571 178.2
[M+H-H2O]+ 314.98981 171.7
[M+HCOO]- 376.99075 184.7
[M+CH3COO]- 391.00640 186.3
[M+Na-2H]- 352.96722 169.8
[M]+ 331.99200 174.1
[M]- 331.99310 174.1
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.