CID 3052593

3(2h)-pyridazinone, 2-(2-hydroxyethyl)-6-(4-methoxyphenoxy)-

Structural Information

Molecular Formula
C13H14N2O4
SMILES
COC1=CC=C(C=C1)OC2=NN(C(=O)C=C2)CCO
InChI
InChI=1S/C13H14N2O4/c1-18-10-2-4-11(5-3-10)19-12-6-7-13(17)15(14-12)8-9-16/h2-7,16H,8-9H2,1H3
InChIKey
NPZLVIQRDKWXBW-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-6-(4-methoxyphenoxy)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 156.5
[M+Na]+ 285.084588 165.8
[M-H]- 261.088094 159.8
[M+NH4]+ 280.129193 169.8
[M+K]+ 301.058528 162.5
[M+H-H2O]+ 245.092630 147.5
[M+HCOO]- 307.093571 178.0
[M+CH3COO]- 321.109221 192.9
[M+Na-2H]- 283.070036 162.5
[M]+ 262.09482142 160.5
[M]- 262.09591858 160.5
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.