CID 3065498

6h-cyclohepta(b)quinolin-11-amine, 7,8,9,10-tetrahydro-n-hexyl-, monohydrochloride

Structural Information

Molecular Formula
C20H28N2
SMILES
CCCCCCNC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C20H28N2/c1-2-3-4-10-15-21-20-16-11-6-5-7-13-18(16)22-19-14-9-8-12-17(19)20/h8-9,12,14H,2-7,10-11,13,15H2,1H3,(H,21,22)
InChIKey
VXVYBRVKSIARDL-UHFFFAOYSA-N
Compound name
N-hexyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.22525 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.232526 171.4
[M+Na]+ 319.214468 175.0
[M-H]- 295.217974 175.2
[M+NH4]+ 314.259073 186.3
[M+K]+ 335.188408 173.2
[M+H-H2O]+ 279.222510 164.0
[M+HCOO]- 341.223451 188.4
[M+CH3COO]- 355.239101 180.5
[M+Na-2H]- 317.199916 176.6
[M]+ 296.22470142 167.4
[M]- 296.22579858 167.4
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.