CID 503764

2-(2,6-dichlorophenyl)-3-(3,5-dimethylphenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C17H15Cl2NOS
SMILES
CC1=CC(=CC(=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl)C
InChI
InChI=1S/C17H15Cl2NOS/c1-10-6-11(2)8-12(7-10)20-15(21)9-22-17(20)16-13(18)4-3-5-14(16)19/h3-8,17H,9H2,1-2H3
InChIKey
LVKJFLVGBNRENG-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.02515 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.03243 179.1
[M+Na]+ 374.01437 190.7
[M-H]- 350.01787 188.0
[M+NH4]+ 369.05897 195.4
[M+K]+ 389.98831 182.8
[M+H-H2O]+ 334.02241 172.8
[M+HCOO]- 396.02335 186.1
[M+CH3COO]- 410.03900 190.6
[M+Na-2H]- 371.99982 174.9
[M]+ 351.02460 183.8
[M]- 351.02570 183.8
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.