CID 381564

Nsc668353

Structural Information

Molecular Formula
C25H19ClN4O2
SMILES
C1C(C(=O)NN=C1C2=CC=C(C=C2)Cl)C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H19ClN4O2/c26-18-13-11-16(12-14-18)21-15-20(24(31)28-27-21)22-23(17-7-3-1-4-8-17)29-30(25(22)32)19-9-5-2-6-10-19/h1-14,20,22H,15H2,(H,28,31)
InChIKey
GQTBFFAHMNPGTR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.11966 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.12694 208.3
[M+Na]+ 465.10888 216.2
[M-H]- 441.11238 217.1
[M+NH4]+ 460.15348 212.5
[M+K]+ 481.08282 206.0
[M+H-H2O]+ 425.11692 194.1
[M+HCOO]- 487.11786 217.6
[M+CH3COO]- 501.13351 215.1
[M+Na-2H]- 463.09433 205.6
[M]+ 442.11911 205.5
[M]- 442.12021 205.5
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.