CID 470900

Pyrazino[2,3-e][1,3]diazepine-5,7,9-trione

Structural Information

Molecular Formula
C7H4N4O3
SMILES
C1=CN=C2C(=N1)C(=O)NC(=O)NC2=O
InChI
InChI=1S/C7H4N4O3/c12-5-3-4(9-2-1-8-3)6(13)11-7(14)10-5/h1-2H,(H2,10,11,12,13,14)
InChIKey
MOZWAPUJRLBDFV-UHFFFAOYSA-N
Compound name
pyrazino[2,3-e][1,3]diazepine-5,7,9-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.02834 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03562 135.1
[M+Na]+ 215.01756 147.3
[M-H]- 191.02106 134.9
[M+NH4]+ 210.06216 148.6
[M+K]+ 230.99150 147.2
[M+H-H2O]+ 175.02560 126.6
[M+HCOO]- 237.02654 153.9
[M+CH3COO]- 251.04219 147.6
[M+Na-2H]- 213.00301 144.8
[M]+ 192.02779 133.2
[M]- 192.02889 133.2
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.