CID 18836

3399-36-8

Structural Information

Molecular Formula

C₂₀H₂₆N₂

SMILES

CC(C)C(CCCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C20H26N2/c1-16(2)20(15-21,13-8-14-22(3)4)19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,16H,8,13-14H2,1-4H3

InChIKey

MHHHMEYFZWKUDY-UHFFFAOYSA-N

Compound name

5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.2096 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]+	295.216876	179.9
[M+Na]+	317.198818	186.9
[M-H]-	293.202324	183.7
[M+NH4]+	312.243423	194.8
[M+K]+	333.172758	181.5
[M+H-H2O]+	277.206860	166.0
[M+HCOO]-	339.207801	196.0
[M+CH3COO]-	353.223451	222.5
[M+Na-2H]-	315.184266	182.6
[M]+	294.20905142	176.5
[M]-	294.21014858	176.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.