CID 2802699

Oprea1_467403

Structural Information

Molecular Formula

C₂₀H₂₁N

SMILES

CCCC1=CC=CC=C1NCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H21N/c1-2-8-17-10-4-6-14-20(17)21-15-18-12-7-11-16-9-3-5-13-19(16)18/h3-7,9-14,21H,2,8,15H2,1H3

InChIKey

PWJCIRQXGRSXJN-UHFFFAOYSA-N

Compound name

N-(naphthalen-1-ylmethyl)-2-propylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 275.1674 Da
Monoisotopic Mass: 6.0
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]+	276.174676	165.5
[M+Na]+	298.156618	171.9
[M-H]-	274.160124	172.5
[M+NH4]+	293.201223	182.2
[M+K]+	314.130558	165.7
[M+H-H2O]+	258.164660	156.9
[M+HCOO]-	320.165601	188.6
[M+CH3COO]-	334.181251	176.9
[M+Na-2H]-	296.142066	172.4
[M]+	275.16685142	165.3
[M]-	275.16794858	165.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.