CID 3073156

146824-86-4

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)C(=N2)OC)C

InChI

InChI=1S/C13H14N2O2/c1-9-5-4-6-11(7-9)15-10(2)8-12(16)13(14-15)17-3/h4-8H,1-3H3

InChIKey

WZIZDVRQFINPRS-UHFFFAOYSA-N

Compound name

3-methoxy-6-methyl-1-(3-methylphenyl)pyridazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.10553 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.11281	149.8
[M+Na]+	253.09475	160.8
[M-H]-	229.09825	154.9
[M+NH4]+	248.13935	165.7
[M+K]+	269.06869	157.3
[M+H-H2O]+	213.10279	141.3
[M+HCOO]-	275.10373	172.4
[M+CH3COO]-	289.11938	192.3
[M+Na-2H]-	251.08020	155.6
[M]+	230.10498	153.2
[M]-	230.10608	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe