CID 3066276

Brn 5779877

Structural Information

Molecular Formula
C20H18Cl2N2O2S2
SMILES
C1C(=O)N([C@H](S1)C2=CC(=CC=C2)Cl)CCN3[C@H](SCC3=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H18Cl2N2O2S2/c21-15-5-1-3-13(9-15)19-23(17(25)11-27-19)7-8-24-18(26)12-28-20(24)14-4-2-6-16(22)10-14/h1-6,9-10,19-20H,7-8,11-12H2/t19-,20-/m1/s1
InChIKey
LCRPRIAJZIYABF-WOJBJXKFSA-N
Compound name
(2R)-2-(3-chlorophenyl)-3-[2-[(2R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.01868 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.02596 201.9
[M+Na]+ 475.00790 215.6
[M+NH4]+ 470.05250 210.3
[M+K]+ 490.98184 206.0
[M-H]- 451.01140 208.0
[M+Na-2H]- 472.99335 207.9
[M]+ 452.01813 207.0
[M]- 452.01923 207.0
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.