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]+ 319.23802 179.6
[M+Na]+ 341.21996 179.1
[M-H]- 317.22346 181.3
[M+NH4]+ 336.26456 191.7
[M+K]+ 357.19390 174.6
[M+H-H2O]+ 301.22800 168.9
[M+HCOO]- 363.22894 183.9
[M+CH3COO]- 377.24459 185.2
[M+Na-2H]- 339.20541 177.2
[M]+ 318.23019 166.0
[M]- 318.23129 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.