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]+ 257.12848 157.1
[M+Na]+ 279.11042 166.0
[M-H]- 255.11392 161.7
[M+NH4]+ 274.15502 171.4
[M+K]+ 295.08436 162.4
[M+H-H2O]+ 239.11846 148.3
[M+HCOO]- 301.11940 177.3
[M+CH3COO]- 315.13505 198.1
[M+Na-2H]- 277.09587 160.3
[M]+ 256.12065 159.0
[M]- 256.12175 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.