CID 3063232

4-isopropyl-1-phenyl-3,5-pyrazolidinedione

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC(C)C1C(=O)NN(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2/c1-8(2)10-11(15)13-14(12(10)16)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,15)

InChIKey

JIPBINSRJUDMTK-UHFFFAOYSA-N

Compound name

1-phenyl-4-propan-2-ylpyrazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.10553 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.11281	150.0
[M+Na]+	241.09475	161.4
[M+NH4]+	236.13935	156.7
[M+K]+	257.06869	158.0
[M-H]-	217.09825	151.1
[M+Na-2H]-	239.08020	154.8
[M]+	218.10498	151.6
[M]-	218.10608	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe