CID 9570615

53068-41-0

Structural Information

Molecular Formula
C22H25N3O5S
SMILES
COC1=C(C=C(C=C1)CCN\2C(=O)CS/C2=N/N=C\C3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C22H25N3O5S/c1-27-17-7-5-15(11-19(17)29-3)9-10-25-21(26)14-31-22(25)24-23-13-16-6-8-18(28-2)20(12-16)30-4/h5-8,11-13H,9-10,14H2,1-4H3/b23-13-,24-22+
InChIKey
XFXDPLAZRBJSIP-OUEWFUSSSA-N
Compound name
(2E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1515 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15878 207.3
[M+Na]+ 466.14072 218.1
[M+NH4]+ 461.18532 212.7
[M+K]+ 482.11466 210.8
[M-H]- 442.14422 212.5
[M+Na-2H]- 464.12617 213.1
[M]+ 443.15095 210.5
[M]- 443.15205 210.5
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.