CID 501030

Chembl422322

Structural Information

Molecular Formula
C14H9Cl3N2OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC=C(C=C3)Cl
InChI
InChI=1S/C14H9Cl3N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
InChIKey
DQYNAPRNBCHHGF-UHFFFAOYSA-N
Compound name
3-(5-chloropyridin-2-yl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.9501 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.95738 176.0
[M+Na]+ 380.93932 187.5
[M-H]- 356.94282 182.1
[M+NH4]+ 375.98392 190.2
[M+K]+ 396.91326 180.0
[M+H-H2O]+ 340.94736 169.0
[M+HCOO]- 402.94830 177.1
[M+CH3COO]- 416.96395 186.3
[M+Na-2H]- 378.92477 172.7
[M]+ 357.94955 179.4
[M]- 357.95065 179.4
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.