CID 6447913

4-thiazolidinone, 5-(p-fluorobenzylidene)-3-((4-phenyl-1-piperazinyl)methyl)-2-thioxo-

Structural Information

Molecular Formula
C21H20FN3OS2
SMILES
C1CN(CCN1CN2C(=O)/C(=C\C3=CC=C(C=C3)F)/SC2=S)C4=CC=CC=C4
InChI
InChI=1S/C21H20FN3OS2/c22-17-8-6-16(7-9-17)14-19-20(26)25(21(27)28-19)15-23-10-12-24(13-11-23)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2/b19-14+
InChIKey
HCUBLVSSCLOFMH-XMHGGMMESA-N
Compound name
(5E)-5-[(4-fluorophenyl)methylidene]-3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.10318 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11046 194.5
[M+Na]+ 436.09240 206.8
[M+NH4]+ 431.13700 201.5
[M+K]+ 452.06634 196.3
[M-H]- 412.09590 199.3
[M+Na-2H]- 434.07785 200.8
[M]+ 413.10263 198.4
[M]- 413.10373 198.4
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.