CID 3088500

1h-isoindole-1,3(2h)-dione, 2-(2-(4-phenyl-1-piperidinyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₂N₂O₂

SMILES

C1CN(CCC1C2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-14-22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17H,10-15H2

InChIKey

LLUHGZIDORKRTF-UHFFFAOYSA-N

Compound name

2-[2-(4-phenylpiperidin-1-yl)ethyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 334.16812 Da
Monoisotopic Mass: 3.2
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]+	335.175396	181.6
[M+Na]+	357.157338	187.6
[M-H]-	333.160844	188.6
[M+NH4]+	352.201943	194.7
[M+K]+	373.131278	181.2
[M+H-H2O]+	317.165380	171.0
[M+HCOO]-	379.166321	197.6
[M+CH3COO]-	393.181971	190.9
[M+Na-2H]-	355.142786	181.2
[M]+	334.16757142	178.0
[M]-	334.16866858	178.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.