CID 44006068

Methyl 2-(3-(4-methylphenyl)-6-oxo-1(6h)-pyridazinyl)propanoate

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)OC
InChI
InChI=1S/C15H16N2O3/c1-10-4-6-12(7-5-10)13-8-9-14(18)17(16-13)11(2)15(19)20-3/h4-9,11H,1-3H3
InChIKey
OIBPAQXXAAWTTJ-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 161.2
[M+Na]+ 295.10532 175.6
[M+NH4]+ 290.14992 167.5
[M+K]+ 311.07926 169.8
[M-H]- 271.10882 163.4
[M+Na-2H]- 293.09077 168.9
[M]+ 272.11555 163.8
[M]- 272.11665 163.8
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.