CID 16429185

624724-59-0

Structural Information

Molecular Formula
C24H22ClN3O3S2
SMILES
COCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C24H22ClN3O3S2/c1-30-12-6-11-27-23(29)21(33-24(27)32)14-17-15-28(18-7-4-3-5-8-18)26-22(17)16-9-10-20(31-2)19(25)13-16/h3-5,7-10,13-15H,6,11-12H2,1-2H3/b21-14-
InChIKey
OIJFMXRIWNEKSK-STZFKDTASA-N
Compound name
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.0791 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.08638 218.5
[M+Na]+ 522.06832 232.5
[M+NH4]+ 517.11292 224.8
[M+K]+ 538.04226 223.2
[M-H]- 498.07182 223.8
[M+Na-2H]- 520.05377 224.2
[M]+ 499.07855 223.2
[M]- 499.07965 223.2
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.