CID 3058827

75639-61-1

Structural Information

Molecular Formula

C₂₀H₂₈N₂O₂

SMILES

CCN(CC)CCCN1C(=O)CC2(C1=O)CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H28N2O2/c1-3-21(4-2)12-7-13-22-18(23)15-20(19(22)24)11-10-16-8-5-6-9-17(16)14-20/h5-6,8-9H,3-4,7,10-15H2,1-2H3

InChIKey

JOMPICABGLRWBP-UHFFFAOYSA-N

Compound name

1'-[3-(diethylamino)propyl]spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.2151 Da
Monoisotopic Mass: 2.5
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]+	329.222376	180.8
[M+Na]+	351.204318	186.0
[M-H]-	327.207824	186.2
[M+NH4]+	346.248923	198.9
[M+K]+	367.178258	181.9
[M+H-H2O]+	311.212360	172.5
[M+HCOO]-	373.213301	198.8
[M+CH3COO]-	387.228951	215.5
[M+Na-2H]-	349.189766	181.4
[M]+	328.21455142	180.3
[M]-	328.21564858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.