CID 6018634

3-ethyl-5-(4-isopropylbenzylidene)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C15H17NO2S
SMILES
CCN1C(=O)/C(=C\C2=CC=C(C=C2)C(C)C)/SC1=O
InChI
InChI=1S/C15H17NO2S/c1-4-16-14(17)13(19-15(16)18)9-11-5-7-12(8-6-11)10(2)3/h5-10H,4H2,1-3H3/b13-9+
InChIKey
FRYYJZVIORHHHO-UKTHLTGXSA-N
Compound name
(5E)-3-ethyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.098 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.105276 163.2
[M+Na]+ 298.087218 171.8
[M-H]- 274.090724 169.1
[M+NH4]+ 293.131823 181.0
[M+K]+ 314.061158 167.2
[M+H-H2O]+ 258.095260 156.7
[M+HCOO]- 320.096201 178.8
[M+CH3COO]- 334.111851 198.3
[M+Na-2H]- 296.072666 159.5
[M]+ 275.09745142 165.2
[M]- 275.09854858 165.2
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

No patent data available for this compound.