CID 6481188

6-(2,5-dichlorophenyl)-3,4-diphenyl-2-(2-pyridyl)pyrazolo[3,4-d]pyridazin-7-one

Structural Information

Molecular Formula
C28H17Cl2N5O
SMILES
C1=CC=C(C=C1)C2=C3C(=NN(C(=O)C3=NN2C4=CC=CC=N4)C5=C(C=CC(=C5)Cl)Cl)C6=CC=CC=C6
InChI
InChI=1S/C28H17Cl2N5O/c29-20-14-15-21(30)22(17-20)34-28(36)26-24(25(32-34)18-9-3-1-4-10-18)27(19-11-5-2-6-12-19)35(33-26)23-13-7-8-16-31-23/h1-17H
InChIKey
OHEFYKLXLDEWOS-UHFFFAOYSA-N
Compound name
6-(2,5-dichlorophenyl)-3,4-diphenyl-2-pyridin-2-ylpyrazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

509.08102 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.08830 222.7
[M+Na]+ 532.07024 235.3
[M-H]- 508.07374 232.1
[M+NH4]+ 527.11484 225.3
[M+K]+ 548.04418 223.5
[M+H-H2O]+ 492.07828 206.2
[M+HCOO]- 554.07922 229.9
[M+CH3COO]- 568.09487 229.6
[M+Na-2H]- 530.05569 223.4
[M]+ 509.08047 227.9
[M]- 509.08157 227.9
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.