CID 9575435

(2z,5z)-5-[(2,4-dimethoxyphenyl)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=C(C=C(C=C3)OC)OC)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C25H23N3O4S/c1-4-32-19-12-9-18(10-13-19)28-24(29)22(33-25(28)27-23-7-5-6-14-26-23)15-17-8-11-20(30-2)16-21(17)31-3/h5-16H,4H2,1-3H3/b22-15-,27-25-
InChIKey
OKISMEBHQNEVIJ-ZXQIJLNISA-N
Compound name
(2Z,5Z)-5-[(2,4-dimethoxyphenyl)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

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.14821 212.4
[M+Na]+ 484.13015 220.2
[M-H]- 460.13365 224.2
[M+NH4]+ 479.17475 220.6
[M+K]+ 500.10409 213.8
[M+H-H2O]+ 444.13819 201.0
[M+HCOO]- 506.13913 229.9
[M+CH3COO]- 520.15478 235.1
[M+Na-2H]- 482.11560 209.5
[M]+ 461.14038 217.9
[M]- 461.14148 217.9
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.