CID 65958

Balofloxacin

Structural Information

Molecular Formula
C20H24FN3O4
SMILES
CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
InChIKey
MGQLHRYJBWGORO-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

66
References

2765
Patents

389.17508 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.182356 193.8
[M+Na]+ 412.164298 202.5
[M-H]- 388.167804 199.4
[M+NH4]+ 407.208903 198.2
[M+K]+ 428.138238 195.7
[M+H-H2O]+ 372.172340 183.6
[M+HCOO]- 434.173281 207.6
[M+CH3COO]- 448.188931 226.0
[M+Na-2H]- 410.149746 192.5
[M]+ 389.17453142 194.5
[M]- 389.17562858 194.5
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