CID 13787

973-36-4

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

C1COCCN1CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c22-19(16-21-11-13-23-14-12-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20H,11-16H2

InChIKey

BFZPGSDUDIDILU-UHFFFAOYSA-N

Compound name

1-morpholin-4-yl-4,4-diphenylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 309.17288 Da
Monoisotopic Mass: 3.0
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]+	310.180156	175.2
[M+Na]+	332.162098	177.0
[M-H]-	308.165604	182.1
[M+NH4]+	327.206703	185.5
[M+K]+	348.136038	173.9
[M+H-H2O]+	292.170140	164.7
[M+HCOO]-	354.171081	190.8
[M+CH3COO]-	368.186731	204.6
[M+Na-2H]-	330.147546	177.7
[M]+	309.17233142	171.1
[M]-	309.17342858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe