CID 27271164

Sbi-0087702

Structural Information

Molecular Formula

C₂₁H₂₃NO₂

SMILES

COC1=CC=C(C=C1)CCNCC2=CC=C(C3=CC=CC=C23)OC

InChI

InChI=1S/C21H23NO2/c1-23-18-10-7-16(8-11-18)13-14-22-15-17-9-12-21(24-2)20-6-4-3-5-19(17)20/h3-12,22H,13-15H2,1-2H3

InChIKey

SNBZXHDTILHVJS-UHFFFAOYSA-N

Compound name

N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 321.17288 Da
Monoisotopic Mass: 4.4
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]+	322.180156	177.3
[M+Na]+	344.162098	183.9
[M-H]-	320.165604	184.5
[M+NH4]+	339.206703	192.2
[M+K]+	360.136038	178.9
[M+H-H2O]+	304.170140	168.1
[M+HCOO]-	366.171081	200.4
[M+CH3COO]-	380.186731	213.0
[M+Na-2H]-	342.147546	182.9
[M]+	321.17233142	180.6
[M]-	321.17342858	180.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.