CID 42703

4-methoxy-3-piperidinomethylbenzophenone hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)CN3CCCCC3

InChI

InChI=1S/C20H23NO2/c1-23-19-11-10-17(20(22)16-8-4-2-5-9-16)14-18(19)15-21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3

InChIKey

ATSLJUUCZRFUAE-UHFFFAOYSA-N

Compound name

[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.17288 Da
Monoisotopic Mass: 3.9
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	175.0
[M+Na]+	332.162098	178.8
[M-H]-	308.165604	181.9
[M+NH4]+	327.206703	187.3
[M+K]+	348.136038	174.2
[M+H-H2O]+	292.170140	164.6
[M+HCOO]-	354.171081	192.5
[M+CH3COO]-	368.186731	205.9
[M+Na-2H]-	330.147546	176.6
[M]+	309.17233142	171.7
[M]-	309.17342858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.