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]+ 293.068736 160.7
[M+Na]+ 315.050678 170.7
[M-H]- 291.054184 165.4
[M+NH4]+ 310.095283 174.5
[M+K]+ 331.024618 166.3
[M+H-H2O]+ 275.058720 152.5
[M+HCOO]- 337.059661 176.9
[M+CH3COO]- 351.075311 200.2
[M+Na-2H]- 313.036126 164.1
[M]+ 292.06091142 165.7
[M]- 292.06200858 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.