CID 513686

Chembl489847

Structural Information

Molecular Formula
C18H20N2OS
SMILES
CC1=C(C(=CC=C1)C)C2N(C(=O)CS2)C3=CC(=CC(=N3)C)C
InChI
InChI=1S/C18H20N2OS/c1-11-8-14(4)19-15(9-11)20-16(21)10-22-18(20)17-12(2)6-5-7-13(17)3/h5-9,18H,10H2,1-4H3
InChIKey
WVLDISGUESCTNF-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)-3-(4,6-dimethylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

312.12964 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13692 173.5
[M+Na]+ 335.11886 184.0
[M-H]- 311.12236 181.9
[M+NH4]+ 330.16346 188.9
[M+K]+ 351.09280 178.0
[M+H-H2O]+ 295.12690 165.4
[M+HCOO]- 357.12784 188.8
[M+CH3COO]- 371.14349 185.3
[M+Na-2H]- 333.10431 170.0
[M]+ 312.12909 176.0
[M]- 312.13019 176.0
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.