CID 28811439

2-phenyl-2h,6h,7h-pyrazolo[3,4-d]pyridazin-7-one

Structural Information

Molecular Formula
C11H8N4O
SMILES
C1=CC=C(C=C1)N2C=C3C=NNC(=O)C3=N2
InChI
InChI=1S/C11H8N4O/c16-11-10-8(6-12-13-11)7-15(14-10)9-4-2-1-3-5-9/h1-7H,(H,13,16)
InChIKey
DFBBAANEEGYHJD-UHFFFAOYSA-N
Compound name
2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06981 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07709 143.7
[M+Na]+ 235.05903 155.8
[M-H]- 211.06253 145.9
[M+NH4]+ 230.10363 159.2
[M+K]+ 251.03297 149.9
[M+H-H2O]+ 195.06707 134.5
[M+HCOO]- 257.06801 164.6
[M+CH3COO]- 271.08366 156.5
[M+Na-2H]- 233.04448 152.5
[M]+ 212.06926 144.4
[M]- 212.07036 144.4
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.