CID 6448332

4-thiazolidinone, 5-((2-hydroxyphenyl)methylene)-2-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)-

Structural Information

Molecular Formula
C25H23NO3S
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3O)/SC2(C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H23NO3S/c1-17-8-12-20(13-9-17)26-24(28)23(16-18-6-4-5-7-22(18)27)30-25(26,2)19-10-14-21(29-3)15-11-19/h4-16,27H,1-3H3/b23-16-
InChIKey
MSHAENXIOFQFPX-KQWNVCNZSA-N
Compound name
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.13986 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.14714 200.6
[M+Na]+ 440.12908 216.0
[M+NH4]+ 435.17368 209.7
[M+K]+ 456.10302 205.0
[M-H]- 416.13258 207.9
[M+Na-2H]- 438.11453 211.2
[M]+ 417.13931 205.7
[M]- 417.14041 205.7
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.