CID 819789

5h,6h,7h,8h-pyrazino[2,3-d]pyridazine-5,8-dione

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=CN=C2C(=N1)C(=O)NNC2=O
InChI
InChI=1S/C6H4N4O2/c11-5-3-4(6(12)10-9-5)8-2-1-7-3/h1-2H,(H,9,11)(H,10,12)
InChIKey
MODLYLCAANSASD-UHFFFAOYSA-N
Compound name
6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

164.03343 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.040706 131.1
[M+Na]+ 187.022648 142.9
[M-H]- 163.026154 128.5
[M+NH4]+ 182.067253 146.2
[M+K]+ 202.996588 137.9
[M+H-H2O]+ 147.030690 123.3
[M+HCOO]- 209.031631 148.9
[M+CH3COO]- 223.047281 143.5
[M+Na-2H]- 185.008096 141.6
[M]+ 164.03288142 129.3
[M]- 164.03397858 129.3
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