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

4
Patents

339.11404 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.121316 177.2
[M+Na]+ 362.103258 184.9
[M-H]- 338.106764 181.5
[M+NH4]+ 357.147863 191.6
[M+K]+ 378.077198 181.0
[M+H-H2O]+ 322.111300 170.3
[M+HCOO]- 384.112241 192.3
[M+CH3COO]- 398.127891 207.1
[M+Na-2H]- 360.088706 173.8
[M]+ 339.11349142 183.7
[M]- 339.11458858 183.7
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