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]+ 201.10224 142.9
[M+Na]+ 223.08418 152.2
[M-H]- 199.08768 146.0
[M+NH4]+ 218.12878 158.8
[M+K]+ 239.05812 147.3
[M+H-H2O]+ 183.09222 134.7
[M+HCOO]- 245.09316 164.2
[M+CH3COO]- 259.10881 182.3
[M+Na-2H]- 221.06963 150.2
[M]+ 200.09441 141.9
[M]- 200.09551 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.