CID 368759

Nsc639913

Structural Information

Molecular Formula
C30H20N4O2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6
InChI
InChI=1S/C30H20N4O2/c35-29-28(25(20-12-4-1-5-13-20)27(31-32-29)22-16-8-3-9-17-22)34-30(36)24-19-11-10-18-23(24)26(33-34)21-14-6-2-7-15-21/h1-19H,(H,32,35)
InChIKey
DZVUUSBGIKMWSG-UHFFFAOYSA-N
Compound name
2-(6-oxo-3,4-diphenyl-1H-pyridazin-5-yl)-4-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.15863 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.16591 220.2
[M+Na]+ 491.14785 229.0
[M-H]- 467.15135 229.7
[M+NH4]+ 486.19245 221.0
[M+K]+ 507.12179 217.5
[M+H-H2O]+ 451.15589 203.6
[M+HCOO]- 513.15683 234.3
[M+CH3COO]- 527.17248 226.2
[M+Na-2H]- 489.13330 224.3
[M]+ 468.15808 217.6
[M]- 468.15918 217.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.