CID 224863

2-methylpyrazino(1,2-a)indole-1,3,4(2h)-trione

Structural Information

Molecular Formula
C12H8N2O3
SMILES
CN1C(=O)C2=CC3=CC=CC=C3N2C(=O)C1=O
InChI
InChI=1S/C12H8N2O3/c1-13-10(15)9-6-7-4-2-3-5-8(7)14(9)12(17)11(13)16/h2-6H,1H3
InChIKey
ABCSELRSAWNMKS-UHFFFAOYSA-N
Compound name
2-methylpyrazino[1,2-a]indole-1,3,4-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06078 145.6
[M+Na]+ 251.04272 158.6
[M-H]- 227.04622 149.8
[M+NH4]+ 246.08732 165.6
[M+K]+ 267.01666 154.3
[M+H-H2O]+ 211.05076 138.9
[M+HCOO]- 273.05170 166.6
[M+CH3COO]- 287.06735 159.7
[M+Na-2H]- 249.02817 151.2
[M]+ 228.05295 148.6
[M]- 228.05405 148.6
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.