CID 90481556

2-(1-methyl-2-oxopropyl)-6-(4-methylphenyl)-3(2h)-pyridazinone

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)C
InChI
InChI=1S/C15H16N2O2/c1-10-4-6-13(7-5-10)14-8-9-15(19)17(16-14)11(2)12(3)18/h4-9,11H,1-3H3
InChIKey
YVLNNMCEEYRMAL-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-2-(3-oxobutan-2-yl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 157.1
[M+Na]+ 279.110418 166.0
[M-H]- 255.113924 161.7
[M+NH4]+ 274.155023 171.4
[M+K]+ 295.084358 162.4
[M+H-H2O]+ 239.118460 148.3
[M+HCOO]- 301.119401 177.3
[M+CH3COO]- 315.135051 198.1
[M+Na-2H]- 277.095866 160.3
[M]+ 256.12065142 159.0
[M]- 256.12174858 159.0
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.