CID 3061683

Brn 5769524

Structural Information

Molecular Formula
C16H21NO5S
SMILES
CCOC1=CC(=C(C=C1CC2C(=O)NC(=O)S2)OCC)OCC
InChI
InChI=1S/C16H21NO5S/c1-4-20-11-9-13(22-6-3)12(21-5-2)7-10(11)8-14-15(18)17-16(19)23-14/h7,9,14H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKey
ZDVKYNKBIOVUQI-UHFFFAOYSA-N
Compound name
5-[(2,4,5-triethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.11404 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12132 180.5
[M+Na]+ 362.10326 190.2
[M+NH4]+ 357.14786 185.9
[M+K]+ 378.07720 184.6
[M-H]- 338.10676 181.2
[M+Na-2H]- 360.08871 182.4
[M]+ 339.11349 182.2
[M]- 339.11459 182.2
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