CID 145867535

2375273-69-9

Structural Information

Molecular Formula
C15H15N3O3
SMILES
C1CN(CC2=C1C(=O)NN=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H15N3O3/c19-14-13-6-7-18(9-12(13)8-16-17-14)15(20)21-10-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,17,19)
InChIKey
DYKWZMWTHIAXTE-UHFFFAOYSA-N
Compound name
benzyl 1-oxo-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 165.0
[M+Na]+ 308.10055 178.7
[M+NH4]+ 303.14515 171.4
[M+K]+ 324.07449 172.2
[M-H]- 284.10405 166.8
[M+Na-2H]- 306.08600 171.7
[M]+ 285.11078 167.2
[M]- 285.11188 167.2
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

No patent data available for this compound.