CID 9575433

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

Structural Information

Molecular Formula
C25H23N3O4S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC(=C(C=C3)O)OCC)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C25H23N3O4S/c1-3-31-19-11-9-18(10-12-19)28-24(30)22(33-25(28)27-23-7-5-6-14-26-23)16-17-8-13-20(29)21(15-17)32-4-2/h5-16,29H,3-4H2,1-2H3/b22-16-,27-25-
InChIKey
XBYDHQNYKVASMF-ZOBKUTJXSA-N
Compound name
(2Z,5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

461.14093 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.14821 211.8
[M+Na]+ 484.13015 219.1
[M-H]- 460.13365 222.3
[M+NH4]+ 479.17475 219.3
[M+K]+ 500.10409 211.9
[M+H-H2O]+ 444.13819 200.8
[M+HCOO]- 506.13913 227.8
[M+CH3COO]- 520.15478 233.0
[M+Na-2H]- 482.11560 208.6
[M]+ 461.14038 215.6
[M]- 461.14148 215.6
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.