CID 3078201

Brn 5094742

Structural Information

Molecular Formula
C19H30N2O2
SMILES
C1CCC(CC1)C(=O)N2CC3C4CCCCC4CCN3C(=O)C2
InChI
InChI=1S/C19H30N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h14-17H,1-13H2
InChIKey
DLTXSEHSQUDZER-UHFFFAOYSA-N
Compound name
2-(cyclohexanecarbonyl)-3,6,7,7a,8,9,10,11,11a,11b-decahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 179.6
[M+Na]+ 341.219958 179.1
[M-H]- 317.223464 181.3
[M+NH4]+ 336.264563 191.7
[M+K]+ 357.193898 174.6
[M+H-H2O]+ 301.228000 168.9
[M+HCOO]- 363.228941 183.9
[M+CH3COO]- 377.244591 185.2
[M+Na-2H]- 339.205406 177.2
[M]+ 318.23019142 166.0
[M]- 318.23128858 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.