CID 53791974

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

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
COC(=O)N1CCC2=NN=C(C=C2C1)Cl
InChI
InChI=1S/C9H10ClN3O2/c1-15-9(14)13-3-2-7-6(5-13)4-8(10)12-11-7/h4H,2-3,5H2,1H3
InChIKey
FCMAEEWDOKAVHX-UHFFFAOYSA-N
Compound name
methyl 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

6
Patents

227.04616 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.053436 145.9
[M+Na]+ 250.035378 155.3
[M-H]- 226.038884 146.1
[M+NH4]+ 245.079983 162.0
[M+K]+ 266.009318 151.8
[M+H-H2O]+ 210.043420 138.1
[M+HCOO]- 272.044361 158.4
[M+CH3COO]- 286.060011 186.5
[M+Na-2H]- 248.020826 152.3
[M]+ 227.04561142 147.3
[M]- 227.04670858 147.3
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