CID 485063

Ethyl 1-hydroxy-2,7-naphthyridine-3-carboxylate

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CCOC(=O)C1=CC2=C(C=NC=C2)C(=O)N1
InChI
InChI=1S/C11H10N2O3/c1-2-16-11(15)9-5-7-3-4-12-6-8(7)10(14)13-9/h3-6H,2H2,1H3,(H,13,14)
InChIKey
WMYRUXRPVMHHKH-UHFFFAOYSA-N
Compound name
ethyl 1-oxo-2H-2,7-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

218.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 144.7
[M+Na]+ 241.058358 154.4
[M-H]- 217.061864 145.7
[M+NH4]+ 236.102963 161.0
[M+K]+ 257.032298 150.8
[M+H-H2O]+ 201.066400 137.2
[M+HCOO]- 263.067341 164.4
[M+CH3COO]- 277.082991 184.7
[M+Na-2H]- 239.043806 152.2
[M]+ 218.06859142 146.3
[M]- 218.06968858 146.3
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

patents stripe