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]+ 371.07930 182.5
[M+Na]+ 393.06124 191.4
[M-H]- 369.06474 189.6
[M+NH4]+ 388.10584 192.1
[M+K]+ 409.03518 185.6
[M+H-H2O]+ 353.06928 171.6
[M+HCOO]- 415.07022 199.1
[M+CH3COO]- 429.08587 212.3
[M+Na-2H]- 391.04669 186.7
[M]+ 370.07147 188.4
[M]- 370.07257 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.