CID 513680

Chembl482851

Structural Information

Molecular Formula
C17H18N2O3S
SMILES
CC1=NC(=CC=C1)N2C(SCC2=O)C3=C(C=CC=C3OC)OC
InChI
InChI=1S/C17H18N2O3S/c1-11-6-4-9-14(18-11)19-15(20)10-23-17(19)16-12(21-2)7-5-8-13(16)22-3/h4-9,17H,10H2,1-3H3
InChIKey
WGTJOQRZWZRXTA-UHFFFAOYSA-N
Compound name
2-(2,6-dimethoxyphenyl)-3-(6-methylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.10382 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11110 176.1
[M+Na]+ 353.09304 185.6
[M-H]- 329.09654 184.2
[M+NH4]+ 348.13764 190.1
[M+K]+ 369.06698 181.1
[M+H-H2O]+ 313.10108 167.5
[M+HCOO]- 375.10202 192.1
[M+CH3COO]- 389.11767 207.5
[M+Na-2H]- 351.07849 174.1
[M]+ 330.10327 180.6
[M]- 330.10437 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.