CID 3051224

Phenol, 2-((2-(4-(methylamino)butoxy)phenyl)methyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₃NO₂

SMILES

CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2O

InChI

InChI=1S/C18H23NO2/c1-19-12-6-7-13-21-18-11-5-3-9-16(18)14-15-8-2-4-10-17(15)20/h2-5,8-11,19-20H,6-7,12-14H2,1H3

InChIKey

PIWYMWIQGJPQAX-UHFFFAOYSA-N

Compound name

2-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 285.17288 Da
Monoisotopic Mass: 3.7
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]+	286.180156	168.4
[M+Na]+	308.162098	173.7
[M-H]-	284.165604	173.2
[M+NH4]+	303.206703	183.1
[M+K]+	324.136038	169.0
[M+H-H2O]+	268.170140	160.1
[M+HCOO]-	330.171081	191.4
[M+CH3COO]-	344.186731	202.7
[M+Na-2H]-	306.147546	172.8
[M]+	285.17233142	169.9
[M]-	285.17342858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe