CID 473156

2-(3-furyl)-3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C17H19NO3S
SMILES
CC1=CC(=C(C=C1N2C(SCC2=O)C3=COC=C3)C(C)C)O
InChI
InChI=1S/C17H19NO3S/c1-10(2)13-7-14(11(3)6-15(13)19)18-16(20)9-22-17(18)12-4-5-21-8-12/h4-8,10,17,19H,9H2,1-3H3
InChIKey
QTYHQVUNDFRIHB-UHFFFAOYSA-N
Compound name
2-(furan-3-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10855 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11583 173.9
[M+Na]+ 340.09777 182.9
[M-H]- 316.10127 183.3
[M+NH4]+ 335.14237 189.9
[M+K]+ 356.07171 179.8
[M+H-H2O]+ 300.10581 168.4
[M+HCOO]- 362.10675 188.9
[M+CH3COO]- 376.12240 203.5
[M+Na-2H]- 338.08322 168.9
[M]+ 317.10800 177.3
[M]- 317.10910 177.3
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.