CID 12240775

1h,4h,5h-pyrazolo[3,4-d]pyridazin-4-one

Structural Information

Molecular Formula
C5H4N4O
SMILES
C1=NNC2=C1C(=O)NN=C2
InChI
InChI=1S/C5H4N4O/c10-5-3-1-6-8-4(3)2-7-9-5/h1-2H,(H,6,8)(H,9,10)
InChIKey
RBWFEMOYMLQPAV-UHFFFAOYSA-N
Compound name
1,5-dihydropyrazolo[4,5-d]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

136.03851 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.045786 123.0
[M+Na]+ 159.027728 135.0
[M-H]- 135.031234 120.6
[M+NH4]+ 154.072333 141.0
[M+K]+ 175.001668 130.7
[M+H-H2O]+ 119.035770 115.5
[M+HCOO]- 181.036711 143.0
[M+CH3COO]- 195.052361 136.4
[M+Na-2H]- 157.013176 132.9
[M]+ 136.03796142 121.9
[M]- 136.03905858 121.9
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