CID 3005476

Chembl520860

Structural Information

Molecular Formula
C14H11Cl2N3OS
SMILES
CC1=NC(=NC=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C14H11Cl2N3OS/c1-8-5-6-17-14(18-8)19-11(20)7-21-13(19)12-9(15)3-2-4-10(12)16/h2-6,13H,7H2,1H3
InChIKey
WYTXWFUOXKQOQS-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

339.0 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00728 173.5
[M+Na]+ 361.98922 185.4
[M-H]- 337.99272 179.6
[M+NH4]+ 357.03382 187.2
[M+K]+ 377.96316 178.0
[M+H-H2O]+ 321.99726 165.3
[M+HCOO]- 383.99820 178.8
[M+CH3COO]- 398.01385 184.4
[M+Na-2H]- 359.97467 171.1
[M]+ 338.99945 177.3
[M]- 339.00055 177.3
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.