CID 16728915

Chembl390956

Structural Information

Molecular Formula
C16H15Cl2N3OS
SMILES
CC1=C(N=C(N=C1C)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl)C
InChI
InChI=1S/C16H15Cl2N3OS/c1-8-9(2)19-16(20-10(8)3)21-13(22)7-23-15(21)14-11(17)5-4-6-12(14)18/h4-6,15H,7H2,1-3H3
InChIKey
WCSJRAMSWWBTEB-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

367.03128 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03856 182.4
[M+Na]+ 390.02050 195.0
[M-H]- 366.02400 188.9
[M+NH4]+ 385.06510 195.5
[M+K]+ 405.99444 187.3
[M+H-H2O]+ 350.02854 174.5
[M+HCOO]- 412.02948 187.0
[M+CH3COO]- 426.04513 193.1
[M+Na-2H]- 388.00595 177.7
[M]+ 367.03073 187.7
[M]- 367.03183 187.7
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.