CID 3061686

Brn 5595631

Structural Information

Molecular Formula
C14H15NO5S
SMILES
CCOC1=C(C=CC(=C1)CC2C(=O)NC(=O)S2)OC(=O)C
InChI
InChI=1S/C14H15NO5S/c1-3-19-11-6-9(4-5-10(11)20-8(2)16)7-12-13(17)15-14(18)21-12/h4-6,12H,3,7H2,1-2H3,(H,15,17,18)
InChIKey
XZDGONOQNBEEAN-UHFFFAOYSA-N
Compound name
[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-ethoxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.0671 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07438 171.0
[M+Na]+ 332.05632 180.4
[M+NH4]+ 327.10092 176.4
[M+K]+ 348.03026 175.9
[M-H]- 308.05982 171.2
[M+Na-2H]- 330.04177 173.3
[M]+ 309.06655 172.4
[M]- 309.06765 172.4
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