CID 9575430

(2z,5z)-3-(4-ethoxyphenyl)-5-[(4-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=C(C=C3)OC)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C24H21N3O3S/c1-3-30-20-13-9-18(10-14-20)27-23(28)21(16-17-7-11-19(29-2)12-8-17)31-24(27)26-22-6-4-5-15-25-22/h4-16H,3H2,1-2H3/b21-16-,26-24-
InChIKey
MKAOEDWJSNHQID-XZXOCULKSA-N
Compound name
(2Z,5Z)-3-(4-ethoxyphenyl)-5-[(4-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]+ 432.137646 205.0
[M+Na]+ 454.119588 212.8
[M-H]- 430.123094 216.6
[M+NH4]+ 449.164193 214.3
[M+K]+ 470.093528 205.8
[M+H-H2O]+ 414.127630 193.8
[M+HCOO]- 476.128571 222.7
[M+CH3COO]- 490.144221 214.2
[M+Na-2H]- 452.105036 202.9
[M]+ 431.12982142 208.4
[M]- 431.13091858 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.