CID 10362217

Ofloxacin n-oxide

Structural Information

Molecular Formula
C18H20FN3O5
SMILES
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)[O-])F)C(=O)O
InChI
InChI=1S/C18H20FN3O5/c1-10-9-27-17-14-11(16(23)12(18(24)25)8-21(10)14)7-13(19)15(17)20-3-5-22(2,26)6-4-20/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
InChIKey
MVLAUMUQGRQERL-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

32
Patents

377.1387 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14598 186.1
[M+Na]+ 400.12792 199.8
[M+NH4]+ 395.17252 192.9
[M+K]+ 416.10186 194.8
[M-H]- 376.13142 188.2
[M+Na-2H]- 398.11337 188.1
[M]+ 377.13815 188.5
[M]- 377.13925 188.5
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