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]+ 330.11583 176.2
[M+Na]+ 352.09777 185.3
[M-H]- 328.10127 185.6
[M+NH4]+ 347.14237 191.7
[M+K]+ 368.07171 180.8
[M+H-H2O]+ 312.10581 168.3
[M+HCOO]- 374.10675 193.2
[M+CH3COO]- 388.12240 207.8
[M+Na-2H]- 350.08322 173.9
[M]+ 329.10800 180.6
[M]- 329.10910 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.