CID 3357

Fleroxacin

Structural Information

Molecular Formula
C17H18F3N3O3
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F
InChI
InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)
InChIKey
XBJBPGROQZJDOJ-UHFFFAOYSA-N
Compound name
6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

520
References

13414
Patents

369.13004 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.137316 186.4
[M+Na]+ 392.119258 196.1
[M-H]- 368.122764 185.0
[M+NH4]+ 387.163863 195.3
[M+K]+ 408.093198 189.5
[M+H-H2O]+ 352.127300 174.0
[M+HCOO]- 414.128241 196.0
[M+CH3COO]- 428.143891 217.8
[M+Na-2H]- 390.104706 184.3
[M]+ 369.12949142 182.4
[M]- 369.13058858 182.4
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