CID 3146156

4-(3,5-dimethylpiperidine-1-carbonyl)-9h-fluoren-9-one

Structural Information

Molecular Formula

C₂₁H₂₁NO₂

SMILES

CC1CC(CN(C1)C(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C21H21NO2/c1-13-10-14(2)12-22(11-13)21(24)18-9-5-8-17-19(18)15-6-3-4-7-16(15)20(17)23/h3-9,13-14H,10-12H2,1-2H3

InChIKey

XCBFQMOXSCFTNJ-UHFFFAOYSA-N

Compound name

4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 0
Patents: 319.15723 Da
Monoisotopic Mass: 4.2
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]+	320.164506	177.2
[M+Na]+	342.146448	184.9
[M-H]-	318.149954	184.1
[M+NH4]+	337.191053	194.1
[M+K]+	358.120388	179.0
[M+H-H2O]+	302.154490	168.9
[M+HCOO]-	364.155431	193.4
[M+CH3COO]-	378.171081	187.8
[M+Na-2H]-	340.131896	176.8
[M]+	319.15668142	175.6
[M]-	319.15777858	175.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.