CID 71744052

1474036-13-9

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CCOC(=O)N1CCC2=NN=C(C=C2C1)N
InChI
InChI=1S/C10H14N4O2/c1-2-16-10(15)14-4-3-8-7(6-14)5-9(11)13-12-8/h5H,2-4,6H2,1H3,(H2,11,13)
InChIKey
XNIBDJVAWIHXIR-UHFFFAOYSA-N
Compound name
ethyl 3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 150.2
[M+Na]+ 245.10090 157.7
[M-H]- 221.10440 149.9
[M+NH4]+ 240.14550 165.0
[M+K]+ 261.07484 155.1
[M+H-H2O]+ 205.10894 141.5
[M+HCOO]- 267.10988 167.4
[M+CH3COO]- 281.12553 190.1
[M+Na-2H]- 243.08635 155.9
[M]+ 222.11113 148.3
[M]- 222.11223 148.4
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.