CID 513690

Chembl490458

Structural Information

Molecular Formula
C18H20N2O3S
SMILES
CC1=CC(=NC(=C1)N2C(SCC2=O)C3=C(C=CC=C3OC)OC)C
InChI
InChI=1S/C18H20N2O3S/c1-11-8-12(2)19-15(9-11)20-16(21)10-24-18(20)17-13(22-3)6-5-7-14(17)23-4/h5-9,18H,10H2,1-4H3
InChIKey
MSESMVKANBGZMD-UHFFFAOYSA-N
Compound name
2-(2,6-dimethoxyphenyl)-3-(4,6-dimethylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

344.11948 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12676 180.4
[M+Na]+ 367.10870 190.3
[M-H]- 343.11220 188.7
[M+NH4]+ 362.15330 194.1
[M+K]+ 383.08264 185.5
[M+H-H2O]+ 327.11674 171.9
[M+HCOO]- 389.11768 196.0
[M+CH3COO]- 403.13333 211.7
[M+Na-2H]- 365.09415 177.2
[M]+ 344.11893 185.6
[M]- 344.12003 185.6
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.