CID 3061685

Brn 5595208

Structural Information

Molecular Formula
C13H15NO5S
SMILES
COC1=CC(=CC(=C1OC)OC)CC2C(=O)NC(=O)S2
InChI
InChI=1S/C13H15NO5S/c1-17-8-4-7(5-9(18-2)11(8)19-3)6-10-12(15)14-13(16)20-10/h4-5,10H,6H2,1-3H3,(H,14,15,16)
InChIKey
SZGBTYLKWOEKNT-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.0671 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07438 164.2
[M+Na]+ 320.05632 173.2
[M-H]- 296.05982 169.1
[M+NH4]+ 315.10092 180.3
[M+K]+ 336.03026 170.0
[M+H-H2O]+ 280.06436 157.8
[M+HCOO]- 342.06530 180.3
[M+CH3COO]- 356.08095 198.2
[M+Na-2H]- 318.04177 162.1
[M]+ 297.06655 169.7
[M]- 297.06765 169.7
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

patents stripe