CID 339691

Dl-2,2'-bis(p-chlorophenyl)(3,3'-bithiazolidine)-4,4'-dione

Structural Information

Molecular Formula
C18H14Cl2N2O2S2
SMILES
C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)N3C(SCC3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H14Cl2N2O2S2/c19-13-5-1-11(2-6-13)17-21(15(23)9-25-17)22-16(24)10-26-18(22)12-3-7-14(20)8-4-12/h1-8,17-18H,9-10H2
InChIKey
JODCNIPMCHXUTK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.98737 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.99465 197.6
[M+Na]+ 446.97659 208.6
[M-H]- 422.98009 208.3
[M+NH4]+ 442.02119 211.4
[M+K]+ 462.95053 200.9
[M+H-H2O]+ 406.98463 191.8
[M+HCOO]- 468.98557 198.4
[M+CH3COO]- 483.00122 207.2
[M+Na-2H]- 444.96204 189.4
[M]+ 423.98682 201.0
[M]- 423.98792 201.0
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.