CID 169501981

P-hydroxynormethadol

Structural Information

Molecular Formula

C₂₀H₂₇NO₂

SMILES

CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=C(C=C2)O)O

InChI

InChI=1S/C20H27NO2/c1-4-19(23)20(14-15(2)21-3,16-8-6-5-7-9-16)17-10-12-18(22)13-11-17/h5-13,15,19,21-23H,4,14H2,1-3H3

InChIKey

LUUYPUMHJLXSPD-UHFFFAOYSA-N

Compound name

4-[5-hydroxy-2-(methylamino)-4-phenylheptan-4-yl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 313.2042 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]+	314.211476	177.8
[M+Na]+	336.193418	180.7
[M-H]-	312.196924	181.0
[M+NH4]+	331.238023	190.3
[M+K]+	352.167358	176.4
[M+H-H2O]+	296.201460	170.3
[M+HCOO]-	358.202401	195.0
[M+CH3COO]-	372.218051	207.3
[M+Na-2H]-	334.178866	179.8
[M]+	313.20365142	176.1
[M]-	313.20474858	176.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.