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 158.0
[M+Na]+ 279.11042 172.9
[M+NH4]+ 274.15502 164.9
[M+K]+ 295.08436 166.6
[M-H]- 255.11392 160.7
[M+Na-2H]- 277.09587 166.1
[M]+ 256.12065 160.9
[M]- 256.12175 160.9
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.

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No patent data available for this compound.