CID 42711

2,4-dimethoxy-3-(1-pyrrolidinylmethyl)benzophenone hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)OC)CN3CCCC3

InChI

InChI=1S/C20H23NO3/c1-23-18-11-10-16(19(22)15-8-4-3-5-9-15)20(24-2)17(18)14-21-12-6-7-13-21/h3-5,8-11H,6-7,12-14H2,1-2H3

InChIKey

QCNGIXDQIRMXTA-UHFFFAOYSA-N

Compound name

[2,4-dimethoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 3.5
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]+	326.175076	178.0
[M+Na]+	348.157018	183.5
[M-H]-	324.160524	186.0
[M+NH4]+	343.201623	192.0
[M+K]+	364.130958	179.7
[M+H-H2O]+	308.165060	168.6
[M+HCOO]-	370.166001	198.0
[M+CH3COO]-	384.181651	208.6
[M+Na-2H]-	346.142466	177.3
[M]+	325.16725142	179.0
[M]-	325.16834858	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.