CID 211660

23509-83-3

Structural Information

Molecular Formula
C20H20N2O2S4
SMILES
C1C(N(C(=S)S1)CCN2C(=S)SCC2(C3=CC=CC=C3)O)(C4=CC=CC=C4)O
InChI
InChI=1S/C20H20N2O2S4/c23-19(15-7-3-1-4-8-15)13-27-17(25)21(19)11-12-22-18(26)28-14-20(22,24)16-9-5-2-6-10-16/h1-10,23-24H,11-14H2
InChIKey
IUEUIOIHCUBHAQ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[2-(4-hydroxy-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-4-phenyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.04077 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.04805 185.0
[M+Na]+ 471.02999 194.0
[M+NH4]+ 466.07459 195.0
[M+K]+ 487.00393 181.3
[M-H]- 447.03349 189.6
[M+Na-2H]- 469.01544 193.0
[M]+ 448.04022 189.5
[M]- 448.04132 189.5
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.