CID 3057866

Brn 1553342

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₃

SMILES

CCN(CCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23)CCOCC

InChI

InChI=1S/C22H32N2O3/c1-3-23(15-16-27-4-2)13-8-14-24-20(25)17-22(21(24)26)12-7-10-18-9-5-6-11-19(18)22/h5-6,9,11H,3-4,7-8,10,12-17H2,1-2H3

InChIKey

YPZKIKQQLAZCLR-UHFFFAOYSA-N

Compound name

1'-[3-[2-ethoxyethyl(ethyl)amino]propyl]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: 372.2413 Da
Monoisotopic Mass: 2.6
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	192.4
[M+Na]+	395.230518	196.5
[M-H]-	371.234024	197.3
[M+NH4]+	390.275123	208.5
[M+K]+	411.204458	192.6
[M+H-H2O]+	355.238560	183.6
[M+HCOO]-	417.239501	209.8
[M+CH3COO]-	431.255151	223.5
[M+Na-2H]-	393.215966	192.2
[M]+	372.24075142	194.0
[M]-	372.24184858	194.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.