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

6
Patents

260.0797 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.086976 155.0
[M+Na]+ 283.068918 165.6
[M-H]- 259.072424 157.9
[M+NH4]+ 278.113523 171.3
[M+K]+ 299.042858 162.9
[M+H-H2O]+ 243.076960 148.1
[M+HCOO]- 305.077901 172.2
[M+CH3COO]- 319.093551 194.3
[M+Na-2H]- 281.054366 159.8
[M]+ 260.07915142 158.3
[M]- 260.08024858 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