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 177.2
[M+Na]+ 362.10326 184.9
[M-H]- 338.10676 181.5
[M+NH4]+ 357.14786 191.6
[M+K]+ 378.07720 181.0
[M+H-H2O]+ 322.11130 170.3
[M+HCOO]- 384.11224 192.3
[M+CH3COO]- 398.12789 207.1
[M+Na-2H]- 360.08871 173.8
[M]+ 339.11349 183.7
[M]- 339.11459 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