CID 14700599

5-ethyl-6-phenyl-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C12H12N2O
SMILES
CCC1=CC(=O)NN=C1C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O/c1-2-9-8-11(15)13-14-12(9)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,13,15)
InChIKey
GQBIHHHKZBNQBN-UHFFFAOYSA-N
Compound name
4-ethyl-3-phenyl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 142.9
[M+Na]+ 223.084178 152.2
[M-H]- 199.087684 146.0
[M+NH4]+ 218.128783 158.8
[M+K]+ 239.058118 147.3
[M+H-H2O]+ 183.092220 134.7
[M+HCOO]- 245.093161 164.2
[M+CH3COO]- 259.108811 182.3
[M+Na-2H]- 221.069626 150.2
[M]+ 200.09441142 141.9
[M]- 200.09550858 141.9
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.