CID 513696

Chembl490058

Structural Information

Molecular Formula
C16H17N3O3S
SMILES
CC1=NC(=NC=C1)N2C(SCC2=O)C3=C(C=CC=C3OC)OC
InChI
InChI=1S/C16H17N3O3S/c1-10-7-8-17-16(18-10)19-13(20)9-23-15(19)14-11(21-2)5-4-6-12(14)22-3/h4-8,15H,9H2,1-3H3
InChIKey
SZQZAAFEATVEPG-UHFFFAOYSA-N
Compound name
2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

331.09906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10634 176.1
[M+Na]+ 354.08828 186.1
[M-H]- 330.09178 183.0
[M+NH4]+ 349.13288 188.7
[M+K]+ 370.06222 181.4
[M+H-H2O]+ 314.09632 167.0
[M+HCOO]- 376.09726 191.1
[M+CH3COO]- 390.11291 187.2
[M+Na-2H]- 352.07373 174.4
[M]+ 331.09851 180.6
[M]- 331.09961 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.