CID 20345828

125273-86-1

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1CCC(CC1)C(=O)N2CC(=O)N3CCC4=CC=CC=C4C3=C2
InChI
InChI=1S/C19H22N2O2/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/h4-6,9,12,15H,1-3,7-8,10-11,13H2
InChIKey
RAZNCTHEBQFYML-UHFFFAOYSA-N
Compound name
2-(cyclohexanecarbonyl)-6,7-dihydro-3H-pyrazino[2,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

310.16812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 175.2
[M+Na]+ 333.15734 188.0
[M+NH4]+ 328.20194 183.8
[M+K]+ 349.13128 179.9
[M-H]- 309.16084 179.2
[M+Na-2H]- 331.14279 180.0
[M]+ 310.16757 178.0
[M]- 310.16867 178.0
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

patents stripe