CID 3052587

69025-04-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07712 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08440 164.2
[M+Na]+ 317.06634 179.4
[M+NH4]+ 312.11094 171.0
[M+K]+ 333.04028 172.4
[M-H]- 293.06984 166.4
[M+Na-2H]- 315.05179 172.0
[M]+ 294.07657 167.2
[M]- 294.07767 167.2
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.