CID 5200287

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

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2=NNC(=O)C=C2C1
InChI
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-5-4-9-8(7-15)6-10(16)14-13-9/h6H,4-5,7H2,1-3H3,(H,14,16)
InChIKey
CEWAOXZXQMSMQT-UHFFFAOYSA-N
Compound name
tert-butyl 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

0
Patents

251.127 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 158.9
[M+Na]+ 274.11622 166.6
[M-H]- 250.11972 157.9
[M+NH4]+ 269.16082 172.6
[M+K]+ 290.09016 163.6
[M+H-H2O]+ 234.12426 151.2
[M+HCOO]- 296.12520 172.3
[M+CH3COO]- 310.14085 190.4
[M+Na-2H]- 272.10167 164.6
[M]+ 251.12645 157.8
[M]- 251.12755 157.8
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.