CID 9574530

Pd 110920

Structural Information

Molecular Formula
C14H15FN4O4
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)/C=N/NCCO)F)C(=O)O
InChI
InChI=1S/C14H15FN4O4/c1-2-19-7-9(14(22)23)12(21)8-5-10(15)11(18-13(8)19)6-17-16-3-4-20/h5-7,16,20H,2-4H2,1H3,(H,22,23)/b17-6+
InChIKey
YORGWSMXABVCHS-UBKPWBPPSA-N
Compound name
1-ethyl-6-fluoro-7-[(E)-(2-hydroxyethylhydrazinylidene)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.10773 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11501 170.7
[M+Na]+ 345.09695 179.9
[M-H]- 321.10045 170.7
[M+NH4]+ 340.14155 182.5
[M+K]+ 361.07089 175.5
[M+H-H2O]+ 305.10499 161.4
[M+HCOO]- 367.10593 190.5
[M+CH3COO]- 381.12158 212.3
[M+Na-2H]- 343.08240 174.8
[M]+ 322.10718 172.7
[M]- 322.10828 172.7
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.