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
3
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 180.8
[M+Na]+ 370.11736 189.5
[M-H]- 346.12086 181.8
[M+NH4]+ 365.16196 190.2
[M+K]+ 386.09130 184.1
[M+H-H2O]+ 330.12540 170.0
[M+HCOO]- 392.12634 193.0
[M+CH3COO]- 406.14199 212.7
[M+Na-2H]- 368.10281 181.0
[M]+ 347.12759 179.3
[M]- 347.12869 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

patents stripe