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

15
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 174.1
[M+Na]+ 333.15734 177.7
[M-H]- 309.16084 177.6
[M+NH4]+ 328.20194 187.0
[M+K]+ 349.13128 172.4
[M+H-H2O]+ 293.16538 163.4
[M+HCOO]- 355.16632 184.3
[M+CH3COO]- 369.18197 182.0
[M+Na-2H]- 331.14279 176.0
[M]+ 310.16757 166.3
[M]- 310.16867 166.3
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.