CID 6481186

2,6-dimethyl-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-one

Structural Information

Molecular Formula
C19H16N4O
SMILES
CN1C(=C2C(=NN(C(=O)C2=N1)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H16N4O/c1-22-18(14-11-7-4-8-12-14)15-16(13-9-5-3-6-10-13)20-23(2)19(24)17(15)21-22/h3-12H,1-2H3
InChIKey
NQPCMZWIPSPZFC-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.13242 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 176.7
[M+Na]+ 339.12164 189.4
[M-H]- 315.12514 183.6
[M+NH4]+ 334.16624 188.6
[M+K]+ 355.09558 181.7
[M+H-H2O]+ 299.12968 165.3
[M+HCOO]- 361.13062 197.1
[M+CH3COO]- 375.14627 188.3
[M+Na-2H]- 337.10709 181.2
[M]+ 316.13187 180.2
[M]- 316.13297 180.2
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

No patent data available for this compound.