CID 9554245

Brn 4942911

Structural Information

Molecular Formula
C23H27N3O5S
SMILES
CCOC1=C(C=C(C=C1)/C=N\N=C\2/N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C23H27N3O5S/c1-5-31-19-9-7-17(13-21(19)30-4)14-24-25-23-26(22(27)15-32-23)11-10-16-6-8-18(28-2)20(12-16)29-3/h6-9,12-14H,5,10-11,15H2,1-4H3/b24-14-,25-23+
InChIKey
HOESJEDNTAPDJT-MRLSLNGVSA-N
Compound name
(2E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.16714 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.17442 211.5
[M+Na]+ 480.15636 222.1
[M+NH4]+ 475.20096 216.7
[M+K]+ 496.13030 214.6
[M-H]- 456.15986 216.6
[M+Na-2H]- 478.14181 217.1
[M]+ 457.16659 214.7
[M]- 457.16769 214.7
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.