CID 9554246

53068-44-3

Structural Information

Molecular Formula
C22H23N3O3S
SMILES
COC1=C(C=C(C=C1)CCN\2C(=O)CS/C2=N/N=C/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C22H23N3O3S/c1-27-19-11-10-18(15-20(19)28-2)12-14-25-21(26)16-29-22(25)24-23-13-6-9-17-7-4-3-5-8-17/h3-11,13,15H,12,14,16H2,1-2H3/b9-6+,23-13+,24-22+
InChIKey
GDGLAFLKXKSVSN-DWMIMLDOSA-N
Compound name
(2E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.14603 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15331 199.9
[M+Na]+ 432.13525 211.1
[M+NH4]+ 427.17985 206.2
[M+K]+ 448.10919 202.2
[M-H]- 408.13875 205.7
[M+Na-2H]- 430.12070 206.9
[M]+ 409.14548 203.3
[M]- 409.14658 203.3
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.