CID 10063762

15198-52-4

Structural Information

Molecular Formula

C₂₀H₂₂N₂O

SMILES

C1CN(CCC12C3=CC=CC=C3CC(=O)N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N2O/c23-19-14-17-8-4-5-9-18(17)20(21-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,23)

InChIKey

MFIIHRQDCJVGET-UHFFFAOYSA-N

Compound name

1'-benzylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 306.17322 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]+	307.180496	175.8
[M+Na]+	329.162438	180.6
[M-H]-	305.165944	179.7
[M+NH4]+	324.207043	189.5
[M+K]+	345.136378	173.5
[M+H-H2O]+	289.170480	164.5
[M+HCOO]-	351.171421	188.0
[M+CH3COO]-	365.187071	183.9
[M+Na-2H]-	327.147886	180.3
[M]+	306.17267142	167.2
[M]-	306.17376858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe