CID 12665831

Ethyl 2-amino-1,8-naphthyridine-3-carboxylate

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C=CC=N2)N
InChI
InChI=1S/C11H11N3O2/c1-2-16-11(15)8-6-7-4-3-5-13-10(7)14-9(8)12/h3-6H,2H2,1H3,(H2,12,13,14)
InChIKey
VQHGJZJDBWIRQI-UHFFFAOYSA-N
Compound name
ethyl 2-amino-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 146.6
[M+Na]+ 240.074348 155.7
[M-H]- 216.077854 148.4
[M+NH4]+ 235.118953 163.2
[M+K]+ 256.048288 152.6
[M+H-H2O]+ 200.082390 138.7
[M+HCOO]- 262.083331 167.8
[M+CH3COO]- 276.098981 190.2
[M+Na-2H]- 238.059796 153.9
[M]+ 217.08458142 147.6
[M]- 217.08567858 147.6
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

No patent data available for this compound.