CID 206928

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

Structural Information

Molecular Formula
C18H24N2
SMILES
CCCCNC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C18H24N2/c1-2-3-13-19-18-14-9-5-4-6-11-16(14)20-17-12-8-7-10-15(17)18/h7-8,10,12H,2-6,9,11,13H2,1H3,(H,19,20)
InChIKey
OOXMFORDZNYBNS-UHFFFAOYSA-N
Compound name
N-butyl-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

268.19394 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 162.6
[M+Na]+ 291.18316 167.1
[M-H]- 267.18666 166.8
[M+NH4]+ 286.22776 178.7
[M+K]+ 307.15710 165.7
[M+H-H2O]+ 251.19120 155.6
[M+HCOO]- 313.19214 180.3
[M+CH3COO]- 327.20779 172.6
[M+Na-2H]- 289.16861 168.9
[M]+ 268.19339 158.0
[M]- 268.19449 158.0
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.