CID 222923

6293-09-0

Structural Information

Molecular Formula
C5H4N4O2
SMILES
C1=NC2=C(N1)C(=O)NNC2=O
InChI
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)5(11)9-8-4/h1H,(H,6,7)(H,8,10)(H,9,11)
InChIKey
GOKGXTNRIXSKPF-UHFFFAOYSA-N
Compound name
5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

152.03343 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04071 126.8
[M+Na]+ 175.02265 139.6
[M+NH4]+ 170.06725 132.5
[M+K]+ 190.99659 137.3
[M-H]- 151.02615 124.3
[M+Na-2H]- 173.00810 131.6
[M]+ 152.03288 127.5
[M]- 152.03398 127.5
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