CID 6481189

2-methyl-3,4-diphenyl-6-(2,4,6-trichlorophenyl)pyrazolo[3,4-d]pyridazin-7-one

Structural Information

Molecular Formula
C24H15Cl3N4O
SMILES
CN1C(=C2C(=NN(C(=O)C2=N1)C3=C(C=C(C=C3Cl)Cl)Cl)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H15Cl3N4O/c1-30-22(15-10-6-3-7-11-15)19-20(14-8-4-2-5-9-14)29-31(24(32)21(19)28-30)23-17(26)12-16(25)13-18(23)27/h2-13H,1H3
InChIKey
LTIXLGHUJUPDPW-UHFFFAOYSA-N
Compound name
2-methyl-3,4-diphenyl-6-(2,4,6-trichlorophenyl)pyrazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.03116 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.03844 211.8
[M+Na]+ 503.02038 226.0
[M-H]- 479.02388 218.9
[M+NH4]+ 498.06498 218.4
[M+K]+ 518.99432 215.7
[M+H-H2O]+ 463.02842 198.3
[M+HCOO]- 525.02936 215.7
[M+CH3COO]- 539.04501 219.9
[M+Na-2H]- 501.00583 210.8
[M]+ 480.03061 219.0
[M]- 480.03171 219.0
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.