CID 3057898

74247-09-9

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₂

SMILES

CCN(CC)CCCCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23

InChI

InChI=1S/C22H32N2O2/c1-3-23(4-2)15-8-5-9-16-24-20(25)17-22(21(24)26)14-10-12-18-11-6-7-13-19(18)22/h6-7,11,13H,3-5,8-10,12,14-17H2,1-2H3

InChIKey

HISOFZLPTTYKDW-UHFFFAOYSA-N

Compound name

1'-[5-(diethylamino)pentyl]spiro[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: 356.24637 Da
Monoisotopic Mass: 3.4
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]+	357.253646	189.8
[M+Na]+	379.235588	194.1
[M-H]-	355.239094	194.7
[M+NH4]+	374.280193	206.7
[M+K]+	395.209528	189.5
[M+H-H2O]+	339.243630	181.1
[M+HCOO]-	401.244571	207.0
[M+CH3COO]-	415.260221	221.4
[M+Na-2H]-	377.221036	189.3
[M]+	356.24582142	189.9
[M]-	356.24691858	189.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.