CID 3052588

3(2h)-pyridazinone, 2-(2-(benzoyloxy)ethyl)-6-(4-chlorophenoxy)-

Structural Information

Molecular Formula
C19H15ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)OCCN2C(=O)C=CC(=N2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClN2O4/c20-15-6-8-16(9-7-15)26-17-10-11-18(23)22(21-17)12-13-25-19(24)14-4-2-1-3-5-14/h1-11H,12-13H2
InChIKey
YKINBXKTCYAGSA-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenoxy)-6-oxopyridazin-1-yl]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.07202 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.079296 182.5
[M+Na]+ 393.061238 191.4
[M-H]- 369.064744 189.6
[M+NH4]+ 388.105843 192.1
[M+K]+ 409.035178 185.6
[M+H-H2O]+ 353.069280 171.6
[M+HCOO]- 415.070221 199.1
[M+CH3COO]- 429.085871 212.3
[M+Na-2H]- 391.046686 186.7
[M]+ 370.07147142 188.4
[M]- 370.07256858 188.4
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.