CID 55492

Amifloxacin

Structural Information

Molecular Formula
C16H19FN4O3
SMILES
CNN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O
InChI
InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)
InChIKey
RUXPNBWPIRDVTH-UHFFFAOYSA-N
Compound name
6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

57
References

6103
Patents

334.1441 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15138 178.9
[M+Na]+ 357.13332 187.1
[M-H]- 333.13682 180.0
[M+NH4]+ 352.17792 188.7
[M+K]+ 373.10726 181.8
[M+H-H2O]+ 317.14136 168.2
[M+HCOO]- 379.14230 192.1
[M+CH3COO]- 393.15795 213.4
[M+Na-2H]- 355.11877 180.0
[M]+ 334.14355 175.7
[M]- 334.14465 175.7
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

patents stripe