CID 3245279

58112-52-0

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCOC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)C
InChI
InChI=1S/C15H16N2O3/c1-3-20-15(19)10-17-14(18)9-8-13(16-17)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKey
CKVHJJWMNSGPNV-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

272.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 161.1
[M+Na]+ 295.105318 170.2
[M-H]- 271.108824 165.6
[M+NH4]+ 290.149923 174.8
[M+K]+ 311.079258 166.7
[M+H-H2O]+ 255.113360 151.9
[M+HCOO]- 317.114301 182.4
[M+CH3COO]- 331.129951 198.6
[M+Na-2H]- 293.090766 165.4
[M]+ 272.11555142 164.8
[M]- 272.11664858 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.