CID 9588329

3-cyclohexyl-2,4-thiazolidinedione 2-(1-phthalazinylhydrazone)

Structural Information

Molecular Formula
C17H19N5OS
SMILES
C1CCC(CC1)N\2C(=O)CS/C2=N/NC3=NN=CC4=CC=CC=C43
InChI
InChI=1S/C17H19N5OS/c23-15-11-24-17(22(15)13-7-2-1-3-8-13)21-20-16-14-9-5-4-6-12(14)10-18-19-16/h4-6,9-10,13H,1-3,7-8,11H2,(H,19,20)/b21-17+
InChIKey
UFFMXLMBXCQFGS-HEHNFIMWSA-N
Compound name
(2E)-3-cyclohexyl-2-(phthalazin-1-ylhydrazinylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.13104 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13832 176.3
[M+Na]+ 364.12026 187.6
[M+NH4]+ 359.16486 184.4
[M+K]+ 380.09420 179.9
[M-H]- 340.12376 182.2
[M+Na-2H]- 362.10571 183.5
[M]+ 341.13049 179.7
[M]- 341.13159 179.7
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.