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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	318.115826	173.9
[M+Na]+	340.097768	182.9
[M-H]-	316.101274	183.3
[M+NH4]+	335.142373	189.9
[M+K]+	356.071708	179.8
[M+H-H2O]+	300.105810	168.4
[M+HCOO]-	362.106751	188.9
[M+CH3COO]-	376.122401	203.5
[M+Na-2H]-	338.083216	168.9
[M]+	317.10800142	177.3
[M]-	317.10909858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.