CID 473176

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

Structural Information

Molecular Formula
C20H23NO3S
SMILES
CC1C(=O)N(C(S1)C2=CC=C(C=C2)O)C3=CC(=C(C=C3C)O)C(C)C
InChI
InChI=1S/C20H23NO3S/c1-11(2)16-10-17(12(3)9-18(16)23)21-19(24)13(4)25-20(21)14-5-7-15(22)8-6-14/h5-11,13,20,22-23H,1-4H3
InChIKey
LGDHBYAJNXXKMK-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-hydroxyphenyl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.13986 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14714 184.1
[M+Na]+ 380.12908 192.5
[M-H]- 356.13258 191.0
[M+NH4]+ 375.17368 197.4
[M+K]+ 396.10302 186.6
[M+H-H2O]+ 340.13712 177.2
[M+HCOO]- 402.13806 196.2
[M+CH3COO]- 416.15371 212.5
[M+Na-2H]- 378.11453 177.9
[M]+ 357.13931 185.9
[M]- 357.14041 185.9
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.