CID 44563092

Chembl488250

Structural Information

Molecular Formula
C15H12Cl2N2OS
SMILES
CC1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=CC=CC=N3
InChI
InChI=1S/C15H12Cl2N2OS/c1-9-14(20)19(12-7-2-3-8-18-12)15(21-9)13-10(16)5-4-6-11(13)17/h2-9,15H,1H3
InChIKey
XTAVLRWOPAIEDI-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-5-methyl-3-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.00473 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01201 174.2
[M+Na]+ 360.99395 185.8
[M-H]- 336.99745 181.6
[M+NH4]+ 356.03855 189.3
[M+K]+ 376.96789 178.3
[M+H-H2O]+ 321.00199 166.9
[M+HCOO]- 383.00293 180.5
[M+CH3COO]- 397.01858 185.4
[M+Na-2H]- 358.97940 171.5
[M]+ 338.00418 178.1
[M]- 338.00528 178.1
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.