CID 16429182

624724-56-7

Structural Information

Molecular Formula
C24H22ClN3O2S2
SMILES
CC(C)CN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C24H22ClN3O2S2/c1-15(2)13-27-23(29)21(32-24(27)31)12-17-14-28(18-7-5-4-6-8-18)26-22(17)16-9-10-20(30-3)19(25)11-16/h4-12,14-15H,13H2,1-3H3/b21-12-
InChIKey
ZDGMHSALNUAVTA-MTJSOVHGSA-N
Compound name
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.0842 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.09148 214.5
[M+Na]+ 506.07342 228.6
[M+NH4]+ 501.11802 221.3
[M+K]+ 522.04736 219.6
[M-H]- 482.07692 220.1
[M+Na-2H]- 504.05887 220.4
[M]+ 483.08365 219.3
[M]- 483.08475 219.3
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.