CID 6602265

74247-03-3

Structural Information

Molecular Formula

C₂₁H₃₀N₂O₂

SMILES

CCN(CC)[C@@H](C)CCN1C(=O)C[C@@]2(C1=O)CCCC3=CC=CC=C23

InChI

InChI=1S/C21H30N2O2/c1-4-22(5-2)16(3)12-14-23-19(24)15-21(20(23)25)13-8-10-17-9-6-7-11-18(17)21/h6-7,9,11,16H,4-5,8,10,12-15H2,1-3H3/t16-,21-/m0/s1

InChIKey

ZBFNTKIVXPNAJX-KKSFZXQISA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 342.23074 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]+	343.238016	185.4
[M+Na]+	365.219958	189.9
[M-H]-	341.223464	190.7
[M+NH4]+	360.264563	202.9
[M+K]+	381.193898	186.1
[M+H-H2O]+	325.228000	177.3
[M+HCOO]-	387.228941	202.0
[M+CH3COO]-	401.244591	219.4
[M+Na-2H]-	363.205406	184.4
[M]+	342.23019142	184.7
[M]-	342.23128858	184.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.