CID 3079042

124069-13-2

Structural Information

Molecular Formula

C₂₃H₂₃NO₃

SMILES

C1C(C(C(NC1C2=CC=CC=C2O)C3=CC=CC=C3O)C4=CC=CC=C4)O

InChI

InChI=1S/C23H23NO3/c25-19-12-6-4-10-16(19)18-14-21(27)22(15-8-2-1-3-9-15)23(24-18)17-11-5-7-13-20(17)26/h1-13,18,21-27H,14H2

InChIKey

AJQWVFDLXHUKTB-UHFFFAOYSA-N

Compound name

2,6-bis(2-hydroxyphenyl)-3-phenylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.1678 Da
Monoisotopic Mass: 3.4
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]+	362.175076	187.7
[M+Na]+	384.157018	192.3
[M-H]-	360.160524	193.4
[M+NH4]+	379.201623	195.3
[M+K]+	400.130958	184.4
[M+H-H2O]+	344.165060	177.5
[M+HCOO]-	406.166001	200.3
[M+CH3COO]-	420.181651	194.9
[M+Na-2H]-	382.142466	187.6
[M]+	361.16725142	179.7
[M]-	361.16834858	179.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.