CID 71336835

112896-07-8

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

CC1=CC(=CC(=C1O)C)C2(CCN(CC2)C)C3=CC(=C(C(=C3)C)O)C

InChI

InChI=1S/C22H29NO2/c1-14-10-18(11-15(2)20(14)24)22(6-8-23(5)9-7-22)19-12-16(3)21(25)17(4)13-19/h10-13,24-25H,6-9H2,1-5H3

InChIKey

IFTATZKJPZSFJT-UHFFFAOYSA-N

Compound name

4-[4-(4-hydroxy-3,5-dimethylphenyl)-1-methylpiperidin-4-yl]-2,6-dimethylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 339.21982 Da
Monoisotopic Mass: 4.9
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]+	340.227096	184.3
[M+Na]+	362.209038	192.2
[M-H]-	338.212544	190.6
[M+NH4]+	357.253643	198.0
[M+K]+	378.182978	186.5
[M+H-H2O]+	322.217080	175.9
[M+HCOO]-	384.218021	199.0
[M+CH3COO]-	398.233671	212.7
[M+Na-2H]-	360.194486	182.9
[M]+	339.21927142	182.1
[M]-	339.22036858	182.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe