CID 60651

Marbofloxacin

Structural Information

Molecular Formula
C17H19FN4O4
SMILES
CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F
InChI
InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)
InChIKey
BPFYOAJNDMUVBL-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

349
References

4077
Patents

362.13904 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14632 187.8
[M+Na]+ 385.12826 200.4
[M+NH4]+ 380.17286 192.4
[M+K]+ 401.10220 195.5
[M-H]- 361.13176 188.3
[M+Na-2H]- 383.11371 188.2
[M]+ 362.13849 189.4
[M]- 362.13959 189.4
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