CID 205123

Brn 1497668

Structural Information

Molecular Formula

C₁₉H₂₆N₂O₂

SMILES

CC1=CC2=C(CCCC23CC(=O)N(C3=O)CCCN(C)C)C=C1

InChI

InChI=1S/C19H26N2O2/c1-14-7-8-15-6-4-9-19(16(15)12-14)13-17(22)21(18(19)23)11-5-10-20(2)3/h7-8,12H,4-6,9-11,13H2,1-3H3

InChIKey

UQQKNJSAXMYHFW-UHFFFAOYSA-N

Compound name

1'-[3-(dimethylamino)propyl]-6-methylspiro[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: 314.19943 Da
Monoisotopic Mass: 2.4
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]+	315.206706	175.8
[M+Na]+	337.188648	182.5
[M-H]-	313.192154	181.8
[M+NH4]+	332.233253	194.9
[M+K]+	353.162588	178.6
[M+H-H2O]+	297.196690	168.1
[M+HCOO]-	359.197631	194.1
[M+CH3COO]-	373.213281	213.8
[M+Na-2H]-	335.174096	176.4
[M]+	314.19888142	175.4
[M]-	314.19997858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.