CID 3057894

74247-07-7

Structural Information

Molecular Formula

C₂₁H₃₀N₂O₂

SMILES

CC[C@H](CN(CC)CC)N1C(=O)C[C@@]2(C1=O)CCCC3=CC=CC=C23

InChI

InChI=1S/C21H30N2O2/c1-4-17(15-22(5-2)6-3)23-19(24)14-21(20(23)25)13-9-11-16-10-7-8-12-18(16)21/h7-8,10,12,17H,4-6,9,11,13-15H2,1-3H3/t17-,21+/m1/s1

InChIKey

BIWSPYUTNMTYFS-UTKZUKDTSA-N

Compound name

(4S)-1'-[(2R)-1-(diethylamino)butan-2-yl]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: 3.3
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.