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 176.1
[M+Na]+ 364.12026 181.7
[M-H]- 340.12376 183.0
[M+NH4]+ 359.16486 188.4
[M+K]+ 380.09420 175.9
[M+H-H2O]+ 324.12830 165.8
[M+HCOO]- 386.12924 189.8
[M+CH3COO]- 400.14489 185.1
[M+Na-2H]- 362.10571 177.7
[M]+ 341.13049 172.0
[M]- 341.13159 172.0
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.