CID 6481184

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

Structural Information

Molecular Formula
C18H14N4O
SMILES
CN1C(=C2C(=NNC(=O)C2=N1)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H14N4O/c1-22-17(13-10-6-3-7-11-13)14-15(12-8-4-2-5-9-12)19-20-18(23)16(14)21-22/h2-11H,1H3,(H,20,23)
InChIKey
SNISAHJMOLFIBE-UHFFFAOYSA-N
Compound name
2-methyl-3,4-diphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.11676 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12404 171.4
[M+Na]+ 325.10598 183.3
[M-H]- 301.10948 176.8
[M+NH4]+ 320.15058 182.9
[M+K]+ 341.07992 175.0
[M+H-H2O]+ 285.11402 160.4
[M+HCOO]- 347.11496 190.8
[M+CH3COO]- 361.13061 182.5
[M+Na-2H]- 323.09143 177.0
[M]+ 302.11621 172.4
[M]- 302.11731 172.4
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.