CID 3018780

78527-63-6

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₂

SMILES

C1=CC=C2C(=C1)C=CC=C2NCCOCCOCCC#N

InChI

InChI=1S/C17H20N2O2/c18-9-4-11-20-13-14-21-12-10-19-17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8,19H,4,10-14H2

InChIKey

RDINMGBRZOIOLS-UHFFFAOYSA-N

Compound name

3-[2-[2-(naphthalen-1-ylamino)ethoxy]ethoxy]propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 284.15247 Da
Monoisotopic Mass: 2.3
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]+	285.159746	166.5
[M+Na]+	307.141688	174.4
[M-H]-	283.145194	169.1
[M+NH4]+	302.186293	181.1
[M+K]+	323.115628	168.6
[M+H-H2O]+	267.149730	152.4
[M+HCOO]-	329.150671	186.0
[M+CH3COO]-	343.166321	213.9
[M+Na-2H]-	305.127136	172.6
[M]+	284.15192142	164.8
[M]-	284.15301858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe