CID 215667

6h-cyclohepta(b)quinoline-11-carboxamide, 7,8,9,10-tetrahydro-n-butyl-

Structural Information

Molecular Formula
C19H24N2O
SMILES
CCCCNC(=O)C1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H24N2O/c1-2-3-13-20-19(22)18-14-9-5-4-6-11-16(14)21-17-12-8-7-10-15(17)18/h7-8,10,12H,2-6,9,11,13H2,1H3,(H,20,22)
InChIKey
XCGGIKFTXJLLSY-UHFFFAOYSA-N
Compound name
N-butyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 169.4
[M+Na]+ 319.178088 173.4
[M-H]- 295.181594 173.6
[M+NH4]+ 314.222693 184.2
[M+K]+ 335.152028 172.6
[M+H-H2O]+ 279.186130 162.3
[M+HCOO]- 341.187071 186.2
[M+CH3COO]- 355.202721 178.8
[M+Na-2H]- 317.163536 174.2
[M]+ 296.18832142 165.1
[M]- 296.18941858 165.1
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.