CID 34824

6h-dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(2-(diethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₂H₃₀N₂

SMILES

CCN(CC)CCN1CC2=CC=CC=C2CCC3=CC=CC=C3C1

InChI

InChI=1S/C22H30N2/c1-3-23(4-2)15-16-24-17-21-11-7-5-9-19(21)13-14-20-10-6-8-12-22(20)18-24/h5-12H,3-4,13-18H2,1-2H3

InChIKey

OGFXRLHXXCNKIU-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.2409 Da
Monoisotopic Mass: 4.3
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]+	323.248176	196.4
[M+Na]+	345.230118	194.4
[M-H]-	321.233624	194.8
[M+NH4]+	340.274723	195.0
[M+K]+	361.204058	194.0
[M+H-H2O]+	305.238160	186.2
[M+HCOO]-	367.239101	195.6
[M+CH3COO]-	381.254751	196.2
[M+Na-2H]-	343.215566	197.1
[M]+	322.24035142	195.2
[M]-	322.24144858	195.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.