CID 211659

23509-81-1

Structural Information

Molecular Formula
C16H24N2O6S4
SMILES
CCOC(=O)C1C(N(C(=S)S1)CCN2C(=S)SC(C2(C)O)C(=O)OCC)(C)O
InChI
InChI=1S/C16H24N2O6S4/c1-5-23-11(19)9-15(3,21)17(13(25)27-9)7-8-18-14(26)28-10(16(18,4)22)12(20)24-6-2/h9-10,21-22H,5-8H2,1-4H3
InChIKey
FONUDMIOOCPPCQ-UHFFFAOYSA-N
Compound name
ethyl 3-[2-(5-ethoxycarbonyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-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

468.05173 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.05901 202.2
[M+Na]+ 491.04095 203.9
[M+NH4]+ 486.08555 207.3
[M+K]+ 507.01489 196.0
[M-H]- 467.04445 198.9
[M+Na-2H]- 489.02640 200.9
[M]+ 468.05118 202.8
[M]- 468.05228 202.8
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.