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[3,4-d]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

136.03851 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04579 123.0
[M+Na]+ 159.02773 135.0
[M-H]- 135.03123 120.6
[M+NH4]+ 154.07233 141.0
[M+K]+ 175.00167 130.7
[M+H-H2O]+ 119.03577 115.5
[M+HCOO]- 181.03671 143.0
[M+CH3COO]- 195.05236 136.4
[M+Na-2H]- 157.01318 132.9
[M]+ 136.03796 121.9
[M]- 136.03906 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