CID 44006047

Methyl 2-(3-(4-chlorophenyl)-6-oxo-1(6h)-pyridazinyl)propanoate

Structural Information

Molecular Formula
C14H13ClN2O3
SMILES
CC(C(=O)OC)N1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O3/c1-9(14(19)20-2)17-13(18)8-7-12(16-17)10-3-5-11(15)6-4-10/h3-9H,1-2H3
InChIKey
QOQAIORMFZLDBG-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.06146 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06874 160.7
[M+Na]+ 315.05068 170.7
[M-H]- 291.05418 165.4
[M+NH4]+ 310.09528 174.5
[M+K]+ 331.02462 166.3
[M+H-H2O]+ 275.05872 152.5
[M+HCOO]- 337.05966 176.9
[M+CH3COO]- 351.07531 200.2
[M+Na-2H]- 313.03613 164.1
[M]+ 292.06091 165.7
[M]- 292.06201 165.7
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.