CID 42713

2,4-dimethoxy-3-piperidinomethylbenzophenone hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₅NO₃

SMILES

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

InChI

InChI=1S/C21H25NO3/c1-24-19-12-11-17(20(23)16-9-5-3-6-10-16)21(25-2)18(19)15-22-13-7-4-8-14-22/h3,5-6,9-12H,4,7-8,13-15H2,1-2H3

InChIKey

UFOXEGWJZOOSOJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.18344 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]+	340.190716	182.5
[M+Na]+	362.172658	186.6
[M-H]-	338.176164	189.7
[M+NH4]+	357.217263	193.8
[M+K]+	378.146598	182.7
[M+H-H2O]+	322.180700	172.0
[M+HCOO]-	384.181641	199.8
[M+CH3COO]-	398.197291	212.2
[M+Na-2H]-	360.158106	182.9
[M]+	339.18289142	181.5
[M]-	339.18398858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.