CID 461428

7-(3-amino-1-azetidinyl)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C14H15FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CC(C3)N)F)C(=O)O
InChI
InChI=1S/C14H15FN4O3/c1-2-18-6-9(14(21)22)11(20)8-3-10(15)13(17-12(8)18)19-4-7(16)5-19/h3,6-7H,2,4-5,16H2,1H3,(H,21,22)
InChIKey
MOSUGPZHRCUMJE-UHFFFAOYSA-N
Compound name
7-(3-aminoazetidin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

306.11282 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12010 174.7
[M+Na]+ 329.10204 183.1
[M-H]- 305.10554 175.6
[M+NH4]+ 324.14664 179.3
[M+K]+ 345.07598 181.6
[M+H-H2O]+ 289.11008 158.9
[M+HCOO]- 351.11102 188.8
[M+CH3COO]- 365.12667 210.6
[M+Na-2H]- 327.08749 174.9
[M]+ 306.11227 182.0
[M]- 306.11337 182.0
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