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]+ 281.201216 167.4
[M+Na]+ 303.183158 170.7
[M-H]- 279.186664 172.2
[M+NH4]+ 298.227763 181.0
[M+K]+ 319.157098 168.1
[M+H-H2O]+ 263.191200 158.0
[M+HCOO]- 325.192141 179.5
[M+CH3COO]- 339.207791 175.8
[M+Na-2H]- 301.168606 171.6
[M]+ 280.19339142 157.4
[M]- 280.19448858 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.