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

16
Patents

310.16812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 174.1
[M+Na]+ 333.157338 177.7
[M-H]- 309.160844 177.6
[M+NH4]+ 328.201943 187.0
[M+K]+ 349.131278 172.4
[M+H-H2O]+ 293.165380 163.4
[M+HCOO]- 355.166321 184.3
[M+CH3COO]- 369.181971 182.0
[M+Na-2H]- 331.142786 176.0
[M]+ 310.16757142 166.3
[M]- 310.16866858 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

literature stripe

Patent stripe

patents stripe