CID 89341

20451-28-9

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

C1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO/c22-20(18-12-6-2-7-13-18)19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2

InChIKey

KJPKPBMWHKBKHG-UHFFFAOYSA-N

Compound name

1,2-diphenyl-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 6
Patents: 293.17798 Da
Monoisotopic Mass: 4.1
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]+	294.185256	171.6
[M+Na]+	316.167198	173.2
[M-H]-	292.170704	177.7
[M+NH4]+	311.211803	183.8
[M+K]+	332.141138	168.5
[M+H-H2O]+	276.175240	161.2
[M+HCOO]-	338.176181	187.8
[M+CH3COO]-	352.191831	180.3
[M+Na-2H]-	314.152646	173.4
[M]+	293.17743142	165.5
[M]-	293.17852858	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe