CID 210692

21494-81-5

Structural Information

Molecular Formula
C20H32N2O6S4
SMILES
CCOC(=O)C1C(N(C(=S)S1)CCCCCCN2C(=S)SC(C2(C)O)C(=O)OCC)(C)O
InChI
InChI=1S/C20H32N2O6S4/c1-5-27-15(23)13-19(3,25)21(17(29)31-13)11-9-7-8-10-12-22-18(30)32-14(20(22,4)26)16(24)28-6-2/h13-14,25-26H,5-12H2,1-4H3
InChIKey
MFXZNPCOELMKBI-UHFFFAOYSA-N
Compound name
ethyl 3-[6-(5-ethoxycarbonyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.1143 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.12158 214.6
[M+Na]+ 547.10352 215.6
[M+NH4]+ 542.14812 219.1
[M+K]+ 563.07746 207.0
[M-H]- 523.10702 211.2
[M+Na-2H]- 545.08897 212.8
[M]+ 524.11375 215.0
[M]- 524.11485 215.0
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.