CID 22025

5782-97-8

Structural Information

Molecular Formula
C19H24N2
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)N4CCCCC4
InChI
InChI=1S/C19H24N2/c1-3-9-15-17(11-4-1)20-18-12-6-5-10-16(18)19(15)21-13-7-2-8-14-21/h5-6,10,12H,1-4,7-9,11,13-14H2
InChIKey
RUEGNLRNUHWNAV-UHFFFAOYSA-N
Compound name
11-piperidin-1-yl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 167.4
[M+Na]+ 303.18316 170.7
[M-H]- 279.18666 172.2
[M+NH4]+ 298.22776 181.0
[M+K]+ 319.15710 168.1
[M+H-H2O]+ 263.19120 158.0
[M+HCOO]- 325.19214 179.5
[M+CH3COO]- 339.20779 175.8
[M+Na-2H]- 301.16861 171.6
[M]+ 280.19339 157.4
[M]- 280.19449 157.4
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.