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

2
Patents

209.08005 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 144.1
[M+Na]+ 232.06927 152.6
[M-H]- 208.07277 143.1
[M+NH4]+ 227.11387 159.2
[M+K]+ 248.04321 149.7
[M+H-H2O]+ 192.07731 136.1
[M+HCOO]- 254.07825 160.1
[M+CH3COO]- 268.09390 181.7
[M+Na-2H]- 230.05472 150.4
[M]+ 209.07950 142.5
[M]- 209.08060 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