CID 3057881

74247-00-0

Structural Information

Molecular Formula

C₂₂H₃₀N₂O₂

SMILES

C1CCN(CC1)CCCCN2C(=O)CC3(C2=O)CCCC4=CC=CC=C34

InChI

InChI=1S/C22H30N2O2/c25-20-17-22(12-8-10-18-9-2-3-11-19(18)22)21(26)24(20)16-7-6-15-23-13-4-1-5-14-23/h2-3,9,11H,1,4-8,10,12-17H2

InChIKey

YLTFNHVEXQKJEB-UHFFFAOYSA-N

Compound name

1'-(4-piperidin-1-ylbutyl)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: 354.23074 Da
Monoisotopic Mass: 3.2
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]+	355.238016	190.4
[M+Na]+	377.219958	193.6
[M-H]-	353.223464	195.0
[M+NH4]+	372.264563	204.7
[M+K]+	393.193898	187.5
[M+H-H2O]+	337.228000	179.5
[M+HCOO]-	399.228941	201.6
[M+CH3COO]-	413.244591	197.7
[M+Na-2H]-	375.205406	188.5
[M]+	354.23019142	183.3
[M]-	354.23128858	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.