CID 473177

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

Structural Information

Molecular Formula

C₂₁H₂₅NO₃S

SMILES

CC1C(=O)N(C(S1)C2=CC=CC=C2OC)C3=CC(=C(C=C3C)O)C(C)C

InChI

InChI=1S/C21H25NO3S/c1-12(2)16-11-17(13(3)10-18(16)23)22-20(24)14(4)26-21(22)15-8-6-7-9-19(15)25-5/h6-12,14,21,23H,1-5H3

InChIKey

AIPUBXSAPJZCGL-UHFFFAOYSA-N

Compound name

3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.15552 Da
Monoisotopic Mass: 4.9
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]+	372.162796	188.3
[M+Na]+	394.144738	196.7
[M-H]-	370.148244	196.4
[M+NH4]+	389.189343	201.7
[M+K]+	410.118678	191.4
[M+H-H2O]+	354.152780	180.9
[M+HCOO]-	416.153721	201.5
[M+CH3COO]-	430.169371	217.7
[M+Na-2H]-	392.130186	181.9
[M]+	371.15497142	192.2
[M]-	371.15606858	192.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.