CID 175411

Dj 6783

Structural Information

Molecular Formula
C13H10N2O4
SMILES
CCN1C=C(C(=O)C2=CC3=C(C=CO3)N=C21)C(=O)O
InChI
InChI=1S/C13H10N2O4/c1-2-15-6-8(13(17)18)11(16)7-5-10-9(3-4-19-10)14-12(7)15/h3-6H,2H2,1H3,(H,17,18)
InChIKey
IRRYFLAZTLGICF-UHFFFAOYSA-N
Compound name
5-ethyl-8-oxofuro[3,2-b][1,8]naphthyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

258.06406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 153.1
[M+Na]+ 281.05328 165.7
[M-H]- 257.05678 156.9
[M+NH4]+ 276.09788 169.8
[M+K]+ 297.02722 162.8
[M+H-H2O]+ 241.06132 146.3
[M+HCOO]- 303.06226 173.2
[M+CH3COO]- 317.07791 166.6
[M+Na-2H]- 279.03873 159.8
[M]+ 258.06351 159.3
[M]- 258.06461 159.3
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