CID 456813

3-(4-phenylphenyl)-4,5-dihydro-1h-pyridazin-6-one

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1CC(=O)NN=C1C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O/c19-16-11-10-15(17-18-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChIKey
QTZSEXZBRBJVAC-UHFFFAOYSA-N
Compound name
3-(4-phenylphenyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 157.6
[M+Na]+ 273.099828 164.3
[M-H]- 249.103334 162.8
[M+NH4]+ 268.144433 170.6
[M+K]+ 289.073768 158.1
[M+H-H2O]+ 233.107870 147.6
[M+HCOO]- 295.108811 175.9
[M+CH3COO]- 309.124461 168.2
[M+Na-2H]- 271.085276 163.2
[M]+ 250.11006142 152.4
[M]- 250.11115858 152.4
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.