CID 21299

5231-42-5

Structural Information

Molecular Formula

C₁₉H₂₆N₂O

SMILES

CC(CN(C)C)OC1=C2CCCCCC2=NC3=CC=CC=C31

InChI

InChI=1S/C19H26N2O/c1-14(13-21(2)3)22-19-15-9-5-4-6-11-17(15)20-18-12-8-7-10-16(18)19/h7-8,10,12,14H,4-6,9,11,13H2,1-3H3

InChIKey

WDQLIMUGDRKUGU-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yloxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.2045 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]+	299.211776	169.4
[M+Na]+	321.193718	173.2
[M-H]-	297.197224	174.9
[M+NH4]+	316.238323	184.8
[M+K]+	337.167658	174.2
[M+H-H2O]+	281.201760	162.2
[M+HCOO]-	343.202701	186.5
[M+CH3COO]-	357.218351	179.3
[M+Na-2H]-	319.179166	173.6
[M]+	298.20395142	167.1
[M]-	298.20504858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.