CID 473178

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

Structural Information

Molecular Formula
C21H25NO3S
SMILES
CC1C(=O)N(C(S1)C2=CC=C(C=C2)OC)C3=CC(=C(C=C3C)O)C(C)C
InChI
InChI=1S/C21H25NO3S/c1-12(2)17-11-18(13(3)10-19(17)23)22-20(24)14(4)26-21(22)15-6-8-16(25-5)9-7-15/h6-12,14,21,23H,1-5H3
InChIKey
MVVAKKKLVUJKMX-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16280 188.3
[M+Na]+ 394.14474 196.7
[M-H]- 370.14824 196.4
[M+NH4]+ 389.18934 201.7
[M+K]+ 410.11868 191.4
[M+H-H2O]+ 354.15278 180.9
[M+HCOO]- 416.15372 201.6
[M+CH3COO]- 430.16937 217.7
[M+Na-2H]- 392.13019 181.9
[M]+ 371.15497 192.2
[M]- 371.15607 192.2
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.