CID 3076135

130260-18-3

Structural Information

Molecular Formula
C19H28N2O
SMILES
C1CCN(CC1)CCOC2=CC3=C4C(=C2)CCCN4CCC3
InChI
InChI=1S/C19H28N2O/c1-2-8-20(9-3-1)12-13-22-18-14-16-6-4-10-21-11-5-7-17(15-18)19(16)21/h14-15H,1-13H2
InChIKey
KXXRXLPVMGZSKG-UHFFFAOYSA-N
Compound name
7-(2-piperidin-1-ylethoxy)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 175.8
[M+Na]+ 323.20937 188.0
[M+NH4]+ 318.25397 185.5
[M+K]+ 339.18331 178.6
[M-H]- 299.21287 180.1
[M+Na-2H]- 321.19482 180.2
[M]+ 300.21960 178.7
[M]- 300.22070 178.7
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.