CID 6448339

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

Structural Information

Molecular Formula
C24H21NO3S
SMILES
CC1(N(C(=O)/C(=C/C2=CC=CC=C2O)/S1)C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H21NO3S/c1-24(18-12-14-20(28-2)15-13-18)25(19-9-4-3-5-10-19)23(27)22(29-24)16-17-8-6-7-11-21(17)26/h3-16,26H,1-2H3/b22-16-
InChIKey
UDQRNYILUASCJC-JWGURIENSA-N
Compound name
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)-2-methyl-3-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1242 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.13148 197.2
[M+Na]+ 426.11342 205.8
[M-H]- 402.11692 208.0
[M+NH4]+ 421.15802 210.2
[M+K]+ 442.08736 198.6
[M+H-H2O]+ 386.12146 188.2
[M+HCOO]- 448.12240 212.3
[M+CH3COO]- 462.13805 207.0
[M+Na-2H]- 424.09887 195.2
[M]+ 403.12365 198.7
[M]- 403.12475 198.7
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.