CID 3057870

74246-92-7

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-13(12-19(2)3)20-16(21)11-18(17(20)22)10-6-8-14-7-4-5-9-15(14)18/h4-5,7,9,13H,6,8,10-12H2,1-3H3/t13-,18+/m1/s1

InChIKey

MFFUAJWIARWAFH-ACJLOTCBSA-N

Compound name

(4S)-1'-[(2R)-1-(dimethylamino)propan-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: 300.18378 Da
Monoisotopic Mass: 2.1
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]+	301.191056	171.8
[M+Na]+	323.172998	177.6
[M-H]-	299.176504	177.7
[M+NH4]+	318.217603	191.0
[M+K]+	339.146938	174.5
[M+H-H2O]+	283.181040	164.2
[M+HCOO]-	345.181981	189.4
[M+CH3COO]-	359.197631	210.5
[M+Na-2H]-	321.158446	172.4
[M]+	300.18323142	170.1
[M]-	300.18432858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.