CID 13063820

2-acetyl-1,2,3,6,7,11b-hexahydro-4h-pyrazino(2,1-a)isochinolin-4-one

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC(=O)N1CC2C3=CC=CC=C3CCN2C(=O)C1
InChI
InChI=1S/C14H16N2O2/c1-10(17)15-8-13-12-5-3-2-4-11(12)6-7-16(13)14(18)9-15/h2-5,13H,6-9H2,1H3
InChIKey
YRRCEEUJIHMQFB-UHFFFAOYSA-N
Compound name
2-acetyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

244.12119 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.1
[M+Na]+ 267.11041 162.0
[M-H]- 243.11391 156.9
[M+NH4]+ 262.15501 171.7
[M+K]+ 283.08435 158.1
[M+H-H2O]+ 227.11845 146.7
[M+HCOO]- 289.11939 168.9
[M+CH3COO]- 303.13504 165.7
[M+Na-2H]- 265.09586 159.6
[M]+ 244.12064 151.4
[M]- 244.12174 151.4
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

patents stripe