CID 217625

Icig 777

Structural Information

Molecular Formula

C₂₂H₂₄N₂O

SMILES

CC(C1CN(CCC1=O)CC2=CC=CC=C2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H24N2O/c1-16(19-13-23-21-10-6-5-9-18(19)21)20-15-24(12-11-22(20)25)14-17-7-3-2-4-8-17/h2-10,13,16,20,23H,11-12,14-15H2,1H3

InChIKey

KHACYSVTSFLQMP-UHFFFAOYSA-N

Compound name

1-benzyl-3-[1-(1H-indol-3-yl)ethyl]piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.18887 Da
Monoisotopic Mass: 3.7
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]+	333.196146	181.5
[M+Na]+	355.178088	187.2
[M-H]-	331.181594	187.5
[M+NH4]+	350.222693	194.0
[M+K]+	371.152028	179.9
[M+H-H2O]+	315.186130	171.2
[M+HCOO]-	377.187071	197.2
[M+CH3COO]-	391.202721	190.4
[M+Na-2H]-	353.163536	181.8
[M]+	332.18832142	177.6
[M]-	332.18941858	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.