CID 3058829

75639-63-3

Structural Information

Molecular Formula

C₂₁H₃₀N₂O₂

SMILES

CCN(CC)CCCCN1C(=O)CC2(C1=O)CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H30N2O2/c1-3-22(4-2)13-7-8-14-23-19(24)16-21(20(23)25)12-11-17-9-5-6-10-18(17)15-21/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3

InChIKey

XTKWBPODGLIRHL-UHFFFAOYSA-N

Compound name

1'-[4-(diethylamino)butyl]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: 342.23074 Da
Monoisotopic Mass: 2.8
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]+	343.238016	185.3
[M+Na]+	365.219958	190.1
[M-H]-	341.223464	190.4
[M+NH4]+	360.264563	202.8
[M+K]+	381.193898	185.7
[M+H-H2O]+	325.228000	176.8
[M+HCOO]-	387.228941	202.9
[M+CH3COO]-	401.244591	218.5
[M+Na-2H]-	363.205406	185.4
[M]+	342.23019142	185.1
[M]-	342.23128858	185.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.