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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.118956	150.2
[M+Na]+	245.100898	157.7
[M-H]-	221.104404	149.9
[M+NH4]+	240.145503	165.0
[M+K]+	261.074838	155.1
[M+H-H2O]+	205.108940	141.5
[M+HCOO]-	267.109881	167.4
[M+CH3COO]-	281.125531	190.1
[M+Na-2H]-	243.086346	155.9
[M]+	222.11113142	148.4
[M]-	222.11222858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.