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]+ 263.10265 156.5
[M+Na]+ 285.08459 165.8
[M-H]- 261.08809 159.8
[M+NH4]+ 280.12919 169.8
[M+K]+ 301.05853 162.5
[M+H-H2O]+ 245.09263 147.5
[M+HCOO]- 307.09357 178.0
[M+CH3COO]- 321.10922 192.9
[M+Na-2H]- 283.07004 162.5
[M]+ 262.09482 160.5
[M]- 262.09592 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.