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]+ 251.11789 157.6
[M+Na]+ 273.09983 164.3
[M-H]- 249.10333 162.8
[M+NH4]+ 268.14443 170.6
[M+K]+ 289.07377 158.1
[M+H-H2O]+ 233.10787 147.6
[M+HCOO]- 295.10881 175.9
[M+CH3COO]- 309.12446 168.2
[M+Na-2H]- 271.08528 163.2
[M]+ 250.11006 152.4
[M]- 250.11116 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.