CID 199652

4662-18-4

Structural Information

Molecular Formula

C₁₇H₂₃NO₂

SMILES

CCN(CC)CC(COC1=CC=CC2=CC=CC=C21)O

InChI

InChI=1S/C17H23NO2/c1-3-18(4-2)12-15(19)13-20-17-11-7-9-14-8-5-6-10-16(14)17/h5-11,15,19H,3-4,12-13H2,1-2H3

InChIKey

DIVDBWIIXNIKDQ-UHFFFAOYSA-N

Compound name

1-(diethylamino)-3-naphthalen-1-yloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.17288 Da
Monoisotopic Mass: 3.4
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]+	274.180156	166.1
[M+Na]+	296.162098	170.7
[M-H]-	272.165604	169.7
[M+NH4]+	291.206703	182.8
[M+K]+	312.136038	168.2
[M+H-H2O]+	256.170140	158.5
[M+HCOO]-	318.171081	187.2
[M+CH3COO]-	332.186731	204.6
[M+Na-2H]-	294.147546	170.3
[M]+	273.17233142	168.8
[M]-	273.17342858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe