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 178.4
[M+Na]+ 370.99868 187.2
[M-H]- 347.00218 180.4
[M+NH4]+ 366.04328 193.1
[M+K]+ 386.97262 178.6
[M+H-H2O]+ 331.00672 174.2
[M+HCOO]- 393.00766 176.4
[M+CH3COO]- 407.02331 207.5
[M+Na-2H]- 368.98413 170.9
[M]+ 348.00891 177.2
[M]- 348.01001 177.2
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.