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]+ 295.08440 164.3
[M+Na]+ 317.06634 174.4
[M-H]- 293.06984 167.6
[M+NH4]+ 312.11094 177.5
[M+K]+ 333.04028 169.2
[M+H-H2O]+ 277.07438 156.5
[M+HCOO]- 339.07532 179.0
[M+CH3COO]- 353.09097 197.8
[M+Na-2H]- 315.05179 170.2
[M]+ 294.07657 168.8
[M]- 294.07767 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.