CID 158790

85441-57-2

Structural Information

Molecular Formula

C₁₉H₂₃NO₂

SMILES

COC1=CC=C(C=C1)OC[C@H]2CNCC[C@@H]2C3=CC=CC=C3

InChI

InChI=1S/C19H23NO2/c1-21-17-7-9-18(10-8-17)22-14-16-13-20-12-11-19(16)15-5-3-2-4-6-15/h2-10,16,19-20H,11-14H2,1H3/t16-,19-/m1/s1

InChIKey

DKZCCZKKKAUGEK-VQIMIIECSA-N

Compound name

(3R,4S)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 297.17288 Da
Monoisotopic Mass: 3.6
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]+	298.18016	171.6
[M+Na]+	320.16210	175.4
[M-H]-	296.16560	177.3
[M+NH4]+	315.20670	183.9
[M+K]+	336.13604	170.3
[M+H-H2O]+	280.17014	161.6
[M+HCOO]-	342.17108	188.8
[M+CH3COO]-	356.18673	180.9
[M+Na-2H]-	318.14755	174.5
[M]+	297.17233	167.5
[M]-	297.17343	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe