CID 207488

30115-75-4

Structural Information

Molecular Formula

C₂₀H₂₆N₂

SMILES

CNCCCN1CC2=CC=CC=C2CCC3=CC=CC=C3C1

InChI

InChI=1S/C20H26N2/c1-21-13-6-14-22-15-19-9-4-2-7-17(19)11-12-18-8-3-5-10-20(18)16-22/h2-5,7-10,21H,6,11-16H2,1H3

InChIKey

GATSFLUBLRJBDK-UHFFFAOYSA-N

Compound name

N-methyl-3-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.2096 Da
Monoisotopic Mass: 3.5
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	195.3
[M+Na]+	317.198818	193.6
[M-H]-	293.202324	193.8
[M+NH4]+	312.243423	194.0
[M+K]+	333.172758	193.1
[M+H-H2O]+	277.206860	185.3
[M+HCOO]-	339.207801	194.7
[M+CH3COO]-	353.223451	195.3
[M+Na-2H]-	315.184266	196.3
[M]+	294.20905142	194.2
[M]-	294.21014858	194.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.