CID 215820

Brn 2893287

Structural Information

Molecular Formula

C₂₃H₂₇NO₂

SMILES

CCC(CNCC(COC1=CC=CC2=CC=CC=C21)O)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO2/c1-2-18(19-9-4-3-5-10-19)15-24-16-21(25)17-26-23-14-8-12-20-11-6-7-13-22(20)23/h3-14,18,21,24-25H,2,15-17H2,1H3

InChIKey

FFCMTPVROZYHPV-UHFFFAOYSA-N

Compound name

1-naphthalen-1-yloxy-3-(2-phenylbutylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.2042 Da
Monoisotopic Mass: 4.8
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]+	350.211476	186.2
[M+Na]+	372.193418	188.9
[M-H]-	348.196924	190.9
[M+NH4]+	367.238023	198.4
[M+K]+	388.167358	183.6
[M+H-H2O]+	332.201460	176.9
[M+HCOO]-	394.202401	205.0
[M+CH3COO]-	408.218051	215.8
[M+Na-2H]-	370.178866	189.5
[M]+	349.20365142	186.3
[M]-	349.20474858	186.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.