CID 215667

Brn 0415123

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]+ 297.19615 169.4
[M+Na]+ 319.17809 173.4
[M-H]- 295.18159 173.6
[M+NH4]+ 314.22269 184.2
[M+K]+ 335.15203 172.6
[M+H-H2O]+ 279.18613 162.3
[M+HCOO]- 341.18707 186.2
[M+CH3COO]- 355.20272 178.8
[M+Na-2H]- 317.16354 174.2
[M]+ 296.18832 165.1
[M]- 296.18942 165.2
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.