CID 16429183

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

Structural Information

Molecular Formula
C25H24ClN3O2S2
SMILES
CCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C25H24ClN3O2S2/c1-3-4-8-13-28-24(30)22(33-25(28)32)15-18-16-29(19-9-6-5-7-10-19)27-23(18)17-11-12-21(31-2)20(26)14-17/h5-7,9-12,14-16H,3-4,8,13H2,1-2H3/b22-15-
InChIKey
LJVCAYTXZFCEGQ-JCMHNJIXSA-N
Compound name
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.09985 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.10713 219.5
[M+Na]+ 520.08907 233.9
[M+NH4]+ 515.13367 226.3
[M+K]+ 536.06301 223.7
[M-H]- 496.09257 225.3
[M+Na-2H]- 518.07452 225.3
[M]+ 497.09930 224.4
[M]- 497.10040 224.4
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.