CID 78330

4,5-dihydro-6-methyl-2-phenylpyridazin-3(2h)-one

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=NN(C(=O)CC1)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O/c1-9-7-8-11(14)13(12-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey
KQVXOJQOQRTUDA-UHFFFAOYSA-N
Compound name
6-methyl-2-phenyl-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

188.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 140.4
[M+Na]+ 211.084178 148.4
[M-H]- 187.087684 144.3
[M+NH4]+ 206.128783 157.3
[M+K]+ 227.058118 145.2
[M+H-H2O]+ 171.092220 132.0
[M+HCOO]- 233.093161 160.6
[M+CH3COO]- 247.108811 182.5
[M+Na-2H]- 209.069626 146.7
[M]+ 188.09441142 138.0
[M]- 188.09550858 138.0
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

patents stripe