CID 3058735

Brn 1602339

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₃

SMILES

CCN(CC)CCCCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)OC

InChI

InChI=1S/C22H32N2O3/c1-4-23(5-2)13-6-7-14-24-20(25)16-22(21(24)26)12-8-9-17-10-11-18(27-3)15-19(17)22/h10-11,15H,4-9,12-14,16H2,1-3H3

InChIKey

IPIQKBIKYLVUPY-UHFFFAOYSA-N

Compound name

1'-[4-(diethylamino)butyl]-6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 372.2413 Da
Monoisotopic Mass: 3.1
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]+	373.248576	192.1
[M+Na]+	395.230518	197.1
[M-H]-	371.234024	197.4
[M+NH4]+	390.275123	208.5
[M+K]+	411.204458	193.3
[M+H-H2O]+	355.238560	183.7
[M+HCOO]-	417.239501	209.5
[M+CH3COO]-	431.255151	224.8
[M+Na-2H]-	393.215966	191.3
[M]+	372.24075142	194.1
[M]-	372.24184858	194.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.