CID 513671

Chembl489426

Structural Information

Molecular Formula
C17H18N2OS
SMILES
CC1=CC(=NC=C1)N2C(SCC2=O)C3=C(C=CC=C3C)C
InChI
InChI=1S/C17H18N2OS/c1-11-7-8-18-14(9-11)19-15(20)10-21-17(19)16-12(2)5-4-6-13(16)3/h4-9,17H,10H2,1-3H3
InChIKey
NQOPVRDVPPOPJO-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)-3-(4-methylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.11398 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12126 169.4
[M+Na]+ 321.10320 179.5
[M-H]- 297.10670 177.5
[M+NH4]+ 316.14780 185.0
[M+K]+ 337.07714 173.7
[M+H-H2O]+ 281.11124 161.1
[M+HCOO]- 343.11218 185.0
[M+CH3COO]- 357.12783 181.2
[M+Na-2H]- 319.08865 167.0
[M]+ 298.11343 171.1
[M]- 298.11453 171.1
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.