CID 12582766

Ethyl 3-chloro-5h,6h,7h,8h-pyrido[4,3-c]pyridazine-6-carboxylate

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
CCOC(=O)N1CCC2=NN=C(C=C2C1)Cl
InChI
InChI=1S/C10H12ClN3O2/c1-2-16-10(15)14-4-3-8-7(6-14)5-9(11)13-12-8/h5H,2-4,6H2,1H3
InChIKey
VJSCICINBIBEOF-UHFFFAOYSA-N
Compound name
ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.0618 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06908 150.5
[M+Na]+ 264.05102 159.5
[M-H]- 240.05452 150.5
[M+NH4]+ 259.09562 166.0
[M+K]+ 280.02496 155.8
[M+H-H2O]+ 224.05906 142.5
[M+HCOO]- 286.06000 162.7
[M+CH3COO]- 300.07565 189.5
[M+Na-2H]- 262.03647 156.4
[M]+ 241.06125 152.2
[M]- 241.06235 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe