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]+ 276.10528 163.2
[M+Na]+ 298.08722 171.8
[M-H]- 274.09072 169.1
[M+NH4]+ 293.13182 181.0
[M+K]+ 314.06116 167.2
[M+H-H2O]+ 258.09526 156.7
[M+HCOO]- 320.09620 178.8
[M+CH3COO]- 334.11185 198.3
[M+Na-2H]- 296.07267 159.5
[M]+ 275.09745 165.2
[M]- 275.09855 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.