CID 3057873

Brn 1546742

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₂

SMILES

CNCCCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23

InChI

InChI=1S/C18H24N2O2/c1-19-11-4-5-12-20-16(21)13-18(17(20)22)10-6-8-14-7-2-3-9-15(14)18/h2-3,7,9,19H,4-6,8,10-13H2,1H3

InChIKey

KOBWZCWPXDLMKP-UHFFFAOYSA-N

Compound name

1'-[4-(methylamino)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: 300.18378 Da
Monoisotopic Mass: 1.9
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	171.6
[M+Na]+	323.172998	177.7
[M-H]-	299.176504	176.0
[M+NH4]+	318.217603	190.3
[M+K]+	339.146938	172.7
[M+H-H2O]+	283.181040	163.8
[M+HCOO]-	345.181981	189.9
[M+CH3COO]-	359.197631	206.2
[M+Na-2H]-	321.158446	174.1
[M]+	300.18323142	169.3
[M]-	300.18432858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.