CID 16429181

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

Structural Information

Molecular Formula
C25H24ClN3O3S2
SMILES
CCOCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C25H24ClN3O3S2/c1-3-32-13-7-12-28-24(30)22(34-25(28)33)15-18-16-29(19-8-5-4-6-9-19)27-23(18)17-10-11-21(31-2)20(26)14-17/h4-6,8-11,14-16H,3,7,12-13H2,1-2H3/b22-15-
InChIKey
NLSXDMCYDAHMII-JCMHNJIXSA-N
Compound name
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(3-ethoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.0948 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.10208 222.5
[M+Na]+ 536.08402 236.3
[M+NH4]+ 531.12862 228.7
[M+K]+ 552.05796 226.8
[M-H]- 512.08752 227.8
[M+Na-2H]- 534.06947 228.0
[M]+ 513.09425 227.1
[M]- 513.09535 227.1
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.