CID 6481185

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

Structural Information

Molecular Formula
C24H18N4O
SMILES
CN1C(=C2C(=NN(C(=O)C2=N1)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H18N4O/c1-27-23(18-13-7-3-8-14-18)20-21(17-11-5-2-6-12-17)26-28(24(29)22(20)25-27)19-15-9-4-10-16-19/h2-16H,1H3
InChIKey
AFBCZUROEKUVHW-UHFFFAOYSA-N
Compound name
2-methyl-3,4,6-triphenylpyrazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.14807 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15535 194.3
[M+Na]+ 401.13729 205.7
[M-H]- 377.14079 203.7
[M+NH4]+ 396.18189 202.7
[M+K]+ 417.11123 196.3
[M+H-H2O]+ 361.14533 180.9
[M+HCOO]- 423.14627 213.8
[M+CH3COO]- 437.16192 204.2
[M+Na-2H]- 399.12274 198.2
[M]+ 378.14752 196.3
[M]- 378.14862 196.3
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.