CID 503752

2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C16H13Cl2NO2S
SMILES
COC1=CC=CC(=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H13Cl2NO2S/c1-21-11-5-2-4-10(8-11)19-14(20)9-22-16(19)15-12(17)6-3-7-13(15)18/h2-8,16H,9H2,1H3
InChIKey
SAGHDGPCIBITSC-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.0044 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.01168 177.8
[M+Na]+ 375.99362 188.8
[M-H]- 351.99712 186.6
[M+NH4]+ 371.03822 193.7
[M+K]+ 391.96756 181.8
[M+H-H2O]+ 336.00166 171.4
[M+HCOO]- 398.00260 185.5
[M+CH3COO]- 412.01825 189.3
[M+Na-2H]- 373.97907 175.0
[M]+ 353.00385 183.2
[M]- 353.00495 183.2
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.