CID 71587506

Desfluoroenrofloxacin

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CCN1CCN(CC1)C2=CC3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O
InChI
InChI=1S/C19H23N3O3/c1-2-20-7-9-21(10-8-20)14-5-6-15-17(11-14)22(13-3-4-13)12-16(18(15)23)19(24)25/h5-6,11-13H,2-4,7-10H2,1H3,(H,24,25)
InChIKey
SAGMQAFQBYWUPS-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.17395 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.181226 190.3
[M+Na]+ 364.163168 198.8
[M-H]- 340.166674 195.3
[M+NH4]+ 359.207773 195.2
[M+K]+ 380.137108 191.7
[M+H-H2O]+ 324.171210 180.0
[M+HCOO]- 386.172151 203.2
[M+CH3COO]- 400.187801 198.0
[M+Na-2H]- 362.148616 190.1
[M]+ 341.17340142 190.2
[M]- 341.17449858 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.