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]+ 273.12338 161.1
[M+Na]+ 295.10532 170.2
[M-H]- 271.10882 165.6
[M+NH4]+ 290.14992 174.8
[M+K]+ 311.07926 166.7
[M+H-H2O]+ 255.11336 151.9
[M+HCOO]- 317.11430 182.4
[M+CH3COO]- 331.12995 198.6
[M+Na-2H]- 293.09077 165.4
[M]+ 272.11555 164.8
[M]- 272.11665 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.