CID 16728004

924648-10-2

Structural Information

Molecular Formula
C18H12Cl2N2OS2
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC(=CS3)C4=CC=CC=C4
InChI
InChI=1S/C18H12Cl2N2OS2/c19-12-7-4-8-13(20)16(12)17-22(15(23)10-24-17)18-21-14(9-25-18)11-5-2-1-3-6-11/h1-9,17H,10H2
InChIKey
SLHFLHLFCPSOAN-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.9768 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.98408 192.1
[M+Na]+ 428.96602 204.6
[M-H]- 404.96952 203.3
[M+NH4]+ 424.01062 206.8
[M+K]+ 444.93996 196.4
[M+H-H2O]+ 388.97406 186.0
[M+HCOO]- 450.97500 195.3
[M+CH3COO]- 464.99065 202.7
[M+Na-2H]- 426.95147 185.9
[M]+ 405.97625 197.1
[M]- 405.97735 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.