CID 501029

Chembl262479

Structural Information

Molecular Formula
C14H10Cl2N2OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=CC=NC=C3
InChI
InChI=1S/C14H10Cl2N2OS/c15-10-2-1-3-11(16)13(10)14-18(12(19)8-20-14)9-4-6-17-7-5-9/h1-7,14H,8H2
InChIKey
YEAFOWNMNHUOMH-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.98907 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.99635 169.8
[M+Na]+ 346.97829 181.0
[M-H]- 322.98179 177.0
[M+NH4]+ 342.02289 185.2
[M+K]+ 362.95223 173.7
[M+H-H2O]+ 306.98633 162.4
[M+HCOO]- 368.98727 176.5
[M+CH3COO]- 383.00292 181.1
[M+Na-2H]- 344.96374 168.2
[M]+ 323.98852 172.9
[M]- 323.98962 172.9
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.