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]+ 297.23253 171.4
[M+Na]+ 319.21447 175.0
[M-H]- 295.21797 175.2
[M+NH4]+ 314.25907 186.3
[M+K]+ 335.18841 173.2
[M+H-H2O]+ 279.22251 164.0
[M+HCOO]- 341.22345 188.4
[M+CH3COO]- 355.23910 180.5
[M+Na-2H]- 317.19992 176.6
[M]+ 296.22470 167.4
[M]- 296.22580 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.