CID 3052590

Benzoic acid, 4-methoxy-, 2-(3-(4-chlorophenoxy)-6-oxo-1(6h)-pyridazinyl)ethyl ester

Structural Information

Molecular Formula
C20H17ClN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OCCN2C(=O)C=CC(=N2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H17ClN2O5/c1-26-16-6-2-14(3-7-16)20(25)27-13-12-23-19(24)11-10-18(22-23)28-17-8-4-15(21)5-9-17/h2-11H,12-13H2,1H3
InChIKey
BTASTTVHRKYEPM-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenoxy)-6-oxopyridazin-1-yl]ethyl 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.0826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08988 190.7
[M+Na]+ 423.07182 207.5
[M+NH4]+ 418.11642 196.5
[M+K]+ 439.04576 199.6
[M-H]- 399.07532 195.0
[M+Na-2H]- 421.05727 200.4
[M]+ 400.08205 194.6
[M]- 400.08315 194.6
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.

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No patent data available for this compound.