CID 101535

76-64-2

Structural Information

Molecular Formula

C₂₄H₃₁NO

SMILES

CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCCCC3

InChI

InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)20(2)19-25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3

InChIKey

KNIKXRHJCUWYNL-UHFFFAOYSA-N

Compound name

5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 349.24057 Da
Monoisotopic Mass: 5.2
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]+	350.247846	188.5
[M+Na]+	372.229788	188.8
[M-H]-	348.233294	194.2
[M+NH4]+	367.274393	198.5
[M+K]+	388.203728	183.8
[M+H-H2O]+	332.237830	178.0
[M+HCOO]-	394.238771	201.8
[M+CH3COO]-	408.254421	214.7
[M+Na-2H]-	370.215236	189.0
[M]+	349.24002142	183.3
[M]-	349.24111858	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe