CID 199631

Brn 2216618

Structural Information

Molecular Formula

C₁₇H₂₃NO₂

SMILES

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

InChI

InChI=1S/C17H23NO2/c1-2-3-11-18-12-15(19)13-20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15,18-19H,2-3,11-13H2,1H3

InChIKey

AITWWMQZEHPPKO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
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	165.3
[M+Na]+	296.162098	169.9
[M-H]-	272.165604	167.5
[M+NH4]+	291.206703	181.5
[M+K]+	312.136038	165.9
[M+H-H2O]+	256.170140	157.9
[M+HCOO]-	318.171081	186.0
[M+CH3COO]-	332.186731	201.2
[M+Na-2H]-	294.147546	170.5
[M]+	273.17233142	166.8
[M]-	273.17342858	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe