CID 205128

Brn 1600593

Structural Information

Molecular Formula

C₂₀H₂₈N₂O₃

SMILES

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

InChI

InChI=1S/C20H28N2O3/c1-21(2)11-4-5-12-22-18(23)14-20(19(22)24)10-6-7-15-8-9-16(25-3)13-17(15)20/h8-9,13H,4-7,10-12,14H2,1-3H3

InChIKey

IKNRVDMKKXONSY-UHFFFAOYSA-N

Compound name

1'-[4-(dimethylamino)butyl]-6-methoxyspiro[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: 344.21 Da
Monoisotopic Mass: 2.3
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]+	345.217276	183.1
[M+Na]+	367.199218	189.1
[M-H]-	343.202724	188.8
[M+NH4]+	362.243823	200.8
[M+K]+	383.173158	185.7
[M+H-H2O]+	327.207260	175.1
[M+HCOO]-	389.208201	201.2
[M+CH3COO]-	403.223851	218.9
[M+Na-2H]-	365.184666	183.4
[M]+	344.20945142	184.5
[M]-	344.21054858	184.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.