CID 16429025

(5z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1h-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C31H29N3O5S2
SMILES
COC1=C(C=C(C=C1)CCN2C(=O)/C(=C/C3=CN(N=C3C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)/SC2=S)OC
InChI
InChI=1S/C31H29N3O5S2/c1-36-24-12-10-20(16-26(24)38-3)14-15-33-30(35)28(41-31(33)40)18-22-19-34(23-8-6-5-7-9-23)32-29(22)21-11-13-25(37-2)27(17-21)39-4/h5-13,16-19H,14-15H2,1-4H3/b28-18-
InChIKey
HXFOPHSEXXMVAB-VEILYXNESA-N
Compound name
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

587.15485 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.16213 241.3
[M+Na]+ 610.14407 255.6
[M+NH4]+ 605.18867 246.2
[M+K]+ 626.11801 246.9
[M-H]- 586.14757 248.5
[M+Na-2H]- 608.12952 248.3
[M]+ 587.15430 246.3
[M]- 587.15540 246.3
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.