CID 3052582

3(2h)-pyridazinone, 6-(4-chlorophenoxy)-2-(2-hydroxy-2-methylpropyl)-

Structural Information

Molecular Formula
C14H15ClN2O3
SMILES
CC(C)(CN1C(=O)C=CC(=N1)OC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H15ClN2O3/c1-14(2,19)9-17-13(18)8-7-12(16-17)20-11-5-3-10(15)4-6-11/h3-8,19H,9H2,1-2H3
InChIKey
OOCHMFZQWQXIBA-UHFFFAOYSA-N
Compound name
6-(4-chlorophenoxy)-2-(2-hydroxy-2-methylpropyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07712 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.084396 164.3
[M+Na]+ 317.066338 174.4
[M-H]- 293.069844 167.6
[M+NH4]+ 312.110943 177.5
[M+K]+ 333.040278 169.2
[M+H-H2O]+ 277.074380 156.5
[M+HCOO]- 339.075321 179.0
[M+CH3COO]- 353.090971 197.8
[M+Na-2H]- 315.051786 170.2
[M]+ 294.07657142 168.8
[M]- 294.07766858 168.8
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.