CID 113765

63716-68-7

Structural Information

Molecular Formula
C17H25NO2
SMILES
COC1=C(C=C(C=C1)C2CCC3CCCCN3C2)OC
InChI
InChI=1S/C17H25NO2/c1-19-16-9-7-13(11-17(16)20-2)14-6-8-15-5-3-4-10-18(15)12-14/h7,9,11,14-15H,3-6,8,10,12H2,1-2H3
InChIKey
WWZYSFVVLXIGSX-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 166.9
[M+Na]+ 298.17776 179.6
[M+NH4]+ 293.22236 176.1
[M+K]+ 314.15170 171.4
[M-H]- 274.18126 171.5
[M+Na-2H]- 296.16321 172.7
[M]+ 275.18799 170.0
[M]- 275.18909 170.0
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.