CID 9575426

(2z,5z)-3-(4-ethoxyphenyl)-5-[(3-hydroxyphenyl)methylene]-2-(2-pyridylimino)thiazolidin-4-one

Structural Information

Molecular Formula
C23H19N3O3S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC(=CC=C3)O)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C23H19N3O3S/c1-2-29-19-11-9-17(10-12-19)26-22(28)20(15-16-6-5-7-18(27)14-16)30-23(26)25-21-8-3-4-13-24-21/h3-15,27H,2H2,1H3/b20-15-,25-23-
InChIKey
NEKMCPIQSLPMLN-JUPUPRTNSA-N
Compound name
(2Z,5Z)-3-(4-ethoxyphenyl)-5-[(3-hydroxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.11472 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12200 200.2
[M+Na]+ 440.10394 208.1
[M-H]- 416.10744 210.8
[M+NH4]+ 435.14854 209.5
[M+K]+ 456.07788 200.5
[M+H-H2O]+ 400.11198 189.7
[M+HCOO]- 462.11292 216.9
[M+CH3COO]- 476.12857 209.3
[M+Na-2H]- 438.08939 198.4
[M]+ 417.11417 201.7
[M]- 417.11527 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.