CID 215182

35133-55-2

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

CC(C(C1=CC=C(C=C1)OC)O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29NO2/c1-17(22(24)20-8-10-21(25-2)11-9-20)23-14-12-19(13-15-23)16-18-6-4-3-5-7-18/h3-11,17,19,22,24H,12-16H2,1-2H3

InChIKey

DARNSYDCMZJMSF-UHFFFAOYSA-N

Compound name

2-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 339.21982 Da
Monoisotopic Mass: 4.2
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]+	340.227096	184.8
[M+Na]+	362.209038	186.6
[M-H]-	338.212544	190.0
[M+NH4]+	357.253643	195.1
[M+K]+	378.182978	182.0
[M+H-H2O]+	322.217080	174.6
[M+HCOO]-	384.218021	198.9
[M+CH3COO]-	398.233671	211.0
[M+Na-2H]-	360.194486	183.8
[M]+	339.21927142	180.5
[M]-	339.22036858	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe