CID 3055903

Furo(3,2-b)(1,8)naphthyridine-7-carboxylic acid, 2,3,5,8-tetrahydro-5-ethyl-8-oxo-

Structural Information

Molecular Formula
C13H12N2O4
SMILES
CCN1C=C(C(=O)C2=CC3=C(CCO3)N=C21)C(=O)O
InChI
InChI=1S/C13H12N2O4/c1-2-15-6-8(13(17)18)11(16)7-5-10-9(3-4-19-10)14-12(7)15/h5-6H,2-4H2,1H3,(H,17,18)
InChIKey
ZZUBSZLETVVBIM-UHFFFAOYSA-N
Compound name
5-ethyl-8-oxo-2,3-dihydrofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

260.0797 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 155.0
[M+Na]+ 283.06892 165.6
[M-H]- 259.07242 157.9
[M+NH4]+ 278.11352 171.3
[M+K]+ 299.04286 162.9
[M+H-H2O]+ 243.07696 148.1
[M+HCOO]- 305.07790 172.2
[M+CH3COO]- 319.09355 194.3
[M+Na-2H]- 281.05437 159.8
[M]+ 260.07915 158.3
[M]- 260.08025 158.3
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

patents stripe