CID 473162

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

Structural Information

Molecular Formula
C20H23NO4S
SMILES
CC1=CC(=C(C=C1N2C(SCC2=O)C3=CC(=CC(=C3)OC)O)C(C)C)O
InChI
InChI=1S/C20H23NO4S/c1-11(2)16-9-17(12(3)5-18(16)23)21-19(24)10-26-20(21)13-6-14(22)8-15(7-13)25-4/h5-9,11,20,22-23H,10H2,1-4H3
InChIKey
XXIYJMLJYSVBPQ-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-5-methoxyphenyl)-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

373.13477 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14205 187.3
[M+Na]+ 396.12399 195.4
[M-H]- 372.12749 194.2
[M+NH4]+ 391.16859 199.8
[M+K]+ 412.09793 190.2
[M+H-H2O]+ 356.13203 180.2
[M+HCOO]- 418.13297 199.6
[M+CH3COO]- 432.14862 214.7
[M+Na-2H]- 394.10944 181.4
[M]+ 373.13422 190.5
[M]- 373.13532 190.5
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.