CID 3061681

Brn 5565232

Structural Information

Molecular Formula
C14H17NO4S
SMILES
CCOC1=C(C=C(C=C1)CC2C(=O)NC(=O)S2)OCC
InChI
InChI=1S/C14H17NO4S/c1-3-18-10-6-5-9(7-11(10)19-4-2)8-12-13(16)15-14(17)20-12/h5-7,12H,3-4,8H2,1-2H3,(H,15,16,17)
InChIKey
IWDNIIVQLPLASA-UHFFFAOYSA-N
Compound name
5-[(3,4-diethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

295.08783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09511 166.2
[M+Na]+ 318.07705 174.2
[M-H]- 294.08055 170.6
[M+NH4]+ 313.12165 182.2
[M+K]+ 334.05099 170.2
[M+H-H2O]+ 278.08509 159.5
[M+HCOO]- 340.08603 181.8
[M+CH3COO]- 354.10168 197.7
[M+Na-2H]- 316.06250 164.0
[M]+ 295.08728 170.2
[M]- 295.08838 170.2
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