CID 215668

Brn 0415360

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC(C)CNC(=O)C1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H24N2O/c1-13(2)12-20-19(22)18-14-8-4-3-5-10-16(14)21-17-11-7-6-9-15(17)18/h6-7,9,11,13H,3-5,8,10,12H2,1-2H3,(H,20,22)
InChIKey
RNBQQIOWUCNEPE-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-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 168.9
[M+Na]+ 319.17809 172.7
[M-H]- 295.18159 173.2
[M+NH4]+ 314.22269 183.7
[M+K]+ 335.15203 172.5
[M+H-H2O]+ 279.18613 162.1
[M+HCOO]- 341.18707 184.8
[M+CH3COO]- 355.20272 178.3
[M+Na-2H]- 317.16354 172.7
[M]+ 296.18832 164.2
[M]- 296.18942 164.2
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.