CID 78898

5235-82-5

Structural Information

Molecular Formula

C₁₇H₂₂N₂O

SMILES

C1COCCN1CCCNC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H22N2O/c1-2-7-16-15(5-1)6-3-8-17(16)18-9-4-10-19-11-13-20-14-12-19/h1-3,5-8,18H,4,9-14H2

InChIKey

AFZZFBZPHUDOLV-UHFFFAOYSA-N

Compound name

N-(3-morpholin-4-ylpropyl)naphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 270.17322 Da
Monoisotopic Mass: 3.2
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]+	271.18050	163.2
[M+Na]+	293.16244	166.9
[M-H]-	269.16594	168.3
[M+NH4]+	288.20704	176.8
[M+K]+	309.13638	163.4
[M+H-H2O]+	253.17048	153.6
[M+HCOO]-	315.17142	180.9
[M+CH3COO]-	329.18707	173.1
[M+Na-2H]-	291.14789	170.2
[M]+	270.17267	159.8
[M]-	270.17377	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe