CID 67833251

Methoxphenidine

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

COC1=CC=CC=C1C(CC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C20H25NO/c1-22-20-13-7-6-12-18(20)19(21-14-8-3-9-15-21)16-17-10-4-2-5-11-17/h2,4-7,10-13,19H,3,8-9,14-16H2,1H3

InChIKey

QXXCUXIRBHSITD-UHFFFAOYSA-N

Compound name

1-[1-(2-methoxyphenyl)-2-phenylethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 15
Patents: 295.1936 Da
Monoisotopic Mass: 4.6
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]+	296.200876	172.7
[M+Na]+	318.182818	175.4
[M-H]-	294.186324	179.2
[M+NH4]+	313.227423	185.4
[M+K]+	334.156758	170.8
[M+H-H2O]+	278.190860	162.3
[M+HCOO]-	340.191801	189.8
[M+CH3COO]-	354.207451	181.9
[M+Na-2H]-	316.168266	175.0
[M]+	295.19305142	168.3
[M]-	295.19414858	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe