CID 132990893

Xz462

Structural Information

Molecular Formula

C₁₀H₉N₃O₄

SMILES

COC(=O)C1=C(C2=C(N=CC=C2)N(C1=O)O)N

InChI

InChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3

InChIKey

DNQZHISFLXUWFF-UHFFFAOYSA-N

Compound name

methyl 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 235.05931 Da
Monoisotopic Mass: -0.1
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]+	236.06659	147.7
[M+Na]+	258.04853	158.6
[M-H]-	234.05203	149.1
[M+NH4]+	253.09313	163.2
[M+K]+	274.02247	155.7
[M+H-H2O]+	218.05657	140.4
[M+HCOO]-	280.05751	168.3
[M+CH3COO]-	294.07316	191.1
[M+Na-2H]-	256.03398	153.7
[M]+	235.05876	149.5
[M]-	235.05986	149.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.