CID 6448334

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

Structural Information

Molecular Formula
C24H20N2O4S
SMILES
CC1(N(C(=O)/C(=C\C2=CC=C(C=C2)OC)/S1)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O4S/c1-24(18-6-4-3-5-7-18)25(19-10-12-20(13-11-19)26(28)29)23(27)22(31-24)16-17-8-14-21(30-2)15-9-17/h3-16H,1-2H3/b22-16+
InChIKey
SGAUIJCAKMSSSY-CJLVFECKSA-N
Compound name
(5E)-5-[(4-methoxyphenyl)methylidene]-2-methyl-3-(4-nitrophenyl)-2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.11438 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12166 199.7
[M+Na]+ 455.10360 214.9
[M+NH4]+ 450.14820 208.4
[M+K]+ 471.07754 206.9
[M-H]- 431.10710 208.1
[M+Na-2H]- 453.08905 210.7
[M]+ 432.11383 204.9
[M]- 432.11493 204.9
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.