CID 21297

6h-cyclohepta(b)quinoline, 11-(2-(diethylamino)ethoxy)-7,8,9,10-tetrahydro-, dihydrochloride

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCN(CC)CCOC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C20H28N2O/c1-3-22(4-2)14-15-23-20-16-10-6-5-7-12-18(16)21-19-13-9-8-11-17(19)20/h8-9,11,13H,3-7,10,12,14-15H2,1-2H3
InChIKey
SGWXFLAVKGVJAT-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 174.4
[M+Na]+ 335.209368 177.9
[M-H]- 311.212874 179.5
[M+NH4]+ 330.253973 189.2
[M+K]+ 351.183308 178.1
[M+H-H2O]+ 295.217410 166.6
[M+HCOO]- 357.218351 192.0
[M+CH3COO]- 371.234001 215.0
[M+Na-2H]- 333.194816 179.0
[M]+ 312.21960142 172.8
[M]- 312.22069858 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.