CID 9575429

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

Structural Information

Molecular Formula
C24H21N3O3S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC=CC=C3OC)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C24H21N3O3S/c1-3-30-19-13-11-18(12-14-19)27-23(28)21(16-17-8-4-5-9-20(17)29-2)31-24(27)26-22-10-6-7-15-25-22/h4-16H,3H2,1-2H3/b21-16-,26-24-
InChIKey
AIXLBFXTGGSOLF-XZXOCULKSA-N
Compound name
(2Z,5Z)-3-(4-ethoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.13037 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13765 205.0
[M+Na]+ 454.11959 212.8
[M-H]- 430.12309 216.6
[M+NH4]+ 449.16419 214.3
[M+K]+ 470.09353 205.8
[M+H-H2O]+ 414.12763 193.8
[M+HCOO]- 476.12857 222.7
[M+CH3COO]- 490.14422 214.2
[M+Na-2H]- 452.10504 202.9
[M]+ 431.12982 208.4
[M]- 431.13092 208.4
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.