CID 29278

18833-61-9

Structural Information

Molecular Formula

C₂₁H₃₀N₂O₂

SMILES

CCN(CC)CCOC1=C2CCCCCC2=NC3=C1C=CC(=C3)OC

InChI

InChI=1S/C21H30N2O2/c1-4-23(5-2)13-14-25-21-17-9-7-6-8-10-19(17)22-20-15-16(24-3)11-12-18(20)21/h11-12,15H,4-10,13-14H2,1-3H3

InChIKey

ZVOMAEFDIZSERF-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[(3-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)oxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 342.23074 Da
Monoisotopic Mass: 4.7
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]+	343.238016	182.1
[M+Na]+	365.219958	185.9
[M-H]-	341.223464	187.4
[M+NH4]+	360.264563	195.9
[M+K]+	381.193898	186.9
[M+H-H2O]+	325.228000	174.2
[M+HCOO]-	387.228941	199.5
[M+CH3COO]-	401.244591	220.8
[M+Na-2H]-	363.205406	185.6
[M]+	342.23019142	182.6
[M]-	342.23128858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.