CID 12733934

N-formylnorfloxacin

Structural Information

Molecular Formula
C17H18FN3O4
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C=O)F)C(=O)O
InChI
InChI=1S/C17H18FN3O4/c1-2-20-9-12(17(24)25)16(23)11-7-13(18)15(8-14(11)20)21-5-3-19(10-22)4-6-21/h7-10H,2-6H2,1H3,(H,24,25)
InChIKey
BFGDJPQDLMOZQQ-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

7
Patents

347.12814 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13542 182.2
[M+Na]+ 370.11736 194.3
[M+NH4]+ 365.16196 186.4
[M+K]+ 386.09130 188.9
[M-H]- 346.12086 181.6
[M+Na-2H]- 368.10281 184.9
[M]+ 347.12759 183.3
[M]- 347.12869 183.3
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