CID 473160

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

Structural Information

Molecular Formula
C20H23NO3S
SMILES
CC1=CC(=C(C=C1N2C(SCC2=O)C3=CC=CC=C3OC)C(C)C)O
InChI
InChI=1S/C20H23NO3S/c1-12(2)15-10-16(13(3)9-17(15)22)21-19(23)11-25-20(21)14-7-5-6-8-18(14)24-4/h5-10,12,20,22H,11H2,1-4H3
InChIKey
ULTGOMXQTQFYEK-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)-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 184.4
[M+Na]+ 380.12908 192.5
[M-H]- 356.13258 192.4
[M+NH4]+ 375.17368 198.1
[M+K]+ 396.10302 187.3
[M+H-H2O]+ 340.13712 176.9
[M+HCOO]- 402.13806 198.1
[M+CH3COO]- 416.15371 213.5
[M+Na-2H]- 378.11453 179.2
[M]+ 357.13931 187.5
[M]- 357.14041 187.5
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.