CID 20441561

Methyl 3-oxo-2h,3h,5h,6h,7h,8h-pyrido[4,3-c]pyridazine-6-carboxylate

Structural Information

Molecular Formula
C9H11N3O3
SMILES
COC(=O)N1CCC2=NNC(=O)C=C2C1
InChI
InChI=1S/C9H11N3O3/c1-15-9(14)12-3-2-7-6(5-12)4-8(13)11-10-7/h4H,2-3,5H2,1H3,(H,11,13)
InChIKey
UOLXKNBRTWTILQ-UHFFFAOYSA-N
Compound name
methyl 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

209.08005 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 144.1
[M+Na]+ 232.069268 152.6
[M-H]- 208.072774 143.1
[M+NH4]+ 227.113873 159.2
[M+K]+ 248.043208 149.7
[M+H-H2O]+ 192.077310 136.1
[M+HCOO]- 254.078251 160.1
[M+CH3COO]- 268.093901 181.7
[M+Na-2H]- 230.054716 150.4
[M]+ 209.07950142 142.5
[M]- 209.08059858 142.5
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

patents stripe