CID 210685

Rhodanine, 3,3'-hexamethylenedi-

Structural Information

Molecular Formula
C12H16N2O2S4
SMILES
C1C(=O)N(C(=S)S1)CCCCCCN2C(=O)CSC2=S
InChI
InChI=1S/C12H16N2O2S4/c15-9-7-19-11(17)13(9)5-3-1-2-4-6-14-10(16)8-20-12(14)18/h1-8H2
InChIKey
SDPTXUTYVKLBKU-UHFFFAOYSA-N
Compound name
3-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

348.00946 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01674 177.9
[M+Na]+ 370.99868 183.8
[M+NH4]+ 366.04328 184.5
[M+K]+ 386.97262 174.6
[M-H]- 347.00218 178.7
[M+Na-2H]- 368.98413 175.7
[M]+ 348.00891 180.3
[M]- 348.01001 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.