CID 461405

Pd109205

Structural Information

Molecular Formula
C16H19N3O6
SMILES
CCN1C=C(C(=O)C2=C1N=C(C=C2)N3CC(C(C(C3)O)O)O)C(=O)O
InChI
InChI=1S/C16H19N3O6/c1-2-18-5-9(16(24)25)13(22)8-3-4-12(17-15(8)18)19-6-10(20)14(23)11(21)7-19/h3-5,10-11,14,20-21,23H,2,6-7H2,1H3,(H,24,25)
InChIKey
AYEGCDJSHNNFQM-UHFFFAOYSA-N
Compound name
1-ethyl-4-oxo-7-(3,4,5-trihydroxypiperidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

349.12738 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13466 181.3
[M+Na]+ 372.11660 189.1
[M-H]- 348.12010 180.3
[M+NH4]+ 367.16120 188.8
[M+K]+ 388.09054 184.4
[M+H-H2O]+ 332.12464 172.6
[M+HCOO]- 394.12558 190.5
[M+CH3COO]- 408.14123 207.7
[M+Na-2H]- 370.10205 180.9
[M]+ 349.12683 179.3
[M]- 349.12793 179.3
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

No patent data available for this compound.