CID 54595977

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

Structural Information

Molecular Formula
C15H15N3O3
SMILES
C1CN(CC2=CC(=O)NN=C21)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H15N3O3/c19-14-8-12-9-18(7-6-13(12)16-17-14)15(20)21-10-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,17,19)
InChIKey
FQNXZPKTMZUIDQ-UHFFFAOYSA-N
Compound name
benzyl 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

285.11133 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.118606 164.9
[M+Na]+ 308.100548 171.9
[M-H]- 284.104054 166.6
[M+NH4]+ 303.145153 176.2
[M+K]+ 324.074488 166.9
[M+H-H2O]+ 268.108590 154.7
[M+HCOO]- 330.109531 180.1
[M+CH3COO]- 344.125181 174.4
[M+Na-2H]- 306.085996 170.6
[M]+ 285.11078142 162.6
[M]- 285.11187858 162.6
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