CID 34772

40077-13-2

Structural Information

Molecular Formula

C₁₉H₂₁NO₂

SMILES

C1CC2=CC=CC=C2C(=O)C1CNCCC3=CC=C(C=C3)O

InChI

InChI=1S/C19H21NO2/c21-17-9-5-14(6-10-17)11-12-20-13-16-8-7-15-3-1-2-4-18(15)19(16)22/h1-6,9-10,16,20-21H,7-8,11-13H2

InChIKey

PZZOEXPDTYIBPI-UHFFFAOYSA-N

Compound name

2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 139
References: 15297
Patents: 295.15723 Da
Monoisotopic Mass: 3.8
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]+	296.164506	168.6
[M+Na]+	318.146448	174.0
[M-H]-	294.149954	174.1
[M+NH4]+	313.191053	183.8
[M+K]+	334.120388	168.3
[M+H-H2O]+	278.154490	160.4
[M+HCOO]-	340.155431	188.3
[M+CH3COO]-	354.171081	204.6
[M+Na-2H]-	316.131896	173.1
[M]+	295.15668142	166.0
[M]-	295.15777858	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe