CID 5909385

623940-36-3

Structural Information

Molecular Formula
C22H19N3OS2
SMILES
CC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C22H19N3OS2/c1-15(2)25-21(26)19(28-22(25)27)13-17-14-24(18-11-7-4-8-12-18)23-20(17)16-9-5-3-6-10-16/h3-15H,1-2H3/b19-13-
InChIKey
WKCSXSAKDGFIIE-UYRXBGFRSA-N
Compound name
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.09695 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.10423 193.9
[M+Na]+ 428.08617 207.6
[M+NH4]+ 423.13077 201.5
[M+K]+ 444.06011 199.2
[M-H]- 404.08967 200.0
[M+Na-2H]- 426.07162 201.3
[M]+ 405.09640 198.5
[M]- 405.09750 198.5
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.