CID 503746

2-(2,6-dichlorophenyl)-3-(m-tolyl)thiazolidin-4-one

Structural Information

Molecular Formula
C16H13Cl2NOS
SMILES
CC1=CC(=CC=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H13Cl2NOS/c1-10-4-2-5-11(8-10)19-14(20)9-21-16(19)15-12(17)6-3-7-13(15)18/h2-8,16H,9H2,1H3
InChIKey
YHIYKGBHSHFSMS-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.0095 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01678 174.9
[M+Na]+ 359.99872 186.2
[M-H]- 336.00222 183.7
[M+NH4]+ 355.04332 191.5
[M+K]+ 375.97266 178.5
[M+H-H2O]+ 320.00676 168.6
[M+HCOO]- 382.00770 182.4
[M+CH3COO]- 396.02335 186.6
[M+Na-2H]- 357.98417 171.9
[M]+ 337.00895 178.9
[M]- 337.01005 178.9
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.