CID 513670

Chembl483882

Structural Information

Molecular Formula
C18H19NO3S
SMILES
CC1=CC(=CC=C1)N2C(SCC2=O)C3=C(C=CC=C3OC)OC
InChI
InChI=1S/C18H19NO3S/c1-12-6-4-7-13(10-12)19-16(20)11-23-18(19)17-14(21-2)8-5-9-15(17)22-3/h4-10,18H,11H2,1-3H3
InChIKey
PHLGRMVGTOAQJZ-UHFFFAOYSA-N
Compound name
2-(2,6-dimethoxyphenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.10855 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.115826 176.2
[M+Na]+ 352.097768 185.3
[M-H]- 328.101274 185.6
[M+NH4]+ 347.142373 191.7
[M+K]+ 368.071708 180.8
[M+H-H2O]+ 312.105810 168.3
[M+HCOO]- 374.106751 193.2
[M+CH3COO]- 388.122401 207.8
[M+Na-2H]- 350.083216 173.9
[M]+ 329.10800142 180.6
[M]- 329.10909858 180.6
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.