CID 17666

2746-76-1

Structural Information

Molecular Formula

C₂₀H₂₄N₂O

SMILES

CCC(CCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H24N2O/c1-2-20(16-21,10-11-22-12-14-23-15-13-22)19-9-5-7-17-6-3-4-8-18(17)19/h3-9H,2,10-15H2,1H3

InChIKey

SCPZOIWRCCWRND-UHFFFAOYSA-N

Compound name

2-ethyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.18887 Da
Monoisotopic Mass: 3.6
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]+	309.196146	176.2
[M+Na]+	331.178088	183.0
[M-H]-	307.181594	179.6
[M+NH4]+	326.222693	187.2
[M+K]+	347.152028	176.2
[M+H-H2O]+	291.186130	160.6
[M+HCOO]-	353.187071	187.4
[M+CH3COO]-	367.202721	215.6
[M+Na-2H]-	329.163536	181.0
[M]+	308.18832142	168.9
[M]-	308.18941858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.