CID 13402001

92242-25-6

Structural Information

Molecular Formula
C14H13FN4O3
SMILES
C=CN1C=C(C(=O)C2=CC(=C(N=C21)N3CC(C3)N)F)C(=O)O
InChI
InChI=1S/C14H13FN4O3/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/h2-3,6-7H,1,4-5,16H2,(H,21,22)
InChIKey
BRXQDBJZPOBZTC-UHFFFAOYSA-N
Compound name
7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.09717 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10445 173.9
[M+Na]+ 327.08639 181.0
[M+NH4]+ 322.13099 174.1
[M+K]+ 343.06033 178.1
[M-H]- 303.08989 170.4
[M+Na-2H]- 325.07184 173.8
[M]+ 304.09662 172.3
[M]- 304.09772 172.3
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.