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]+ 342.18123 190.3
[M+Na]+ 364.16317 198.8
[M-H]- 340.16667 195.3
[M+NH4]+ 359.20777 195.2
[M+K]+ 380.13711 191.7
[M+H-H2O]+ 324.17121 180.0
[M+HCOO]- 386.17215 203.2
[M+CH3COO]- 400.18780 198.0
[M+Na-2H]- 362.14862 190.1
[M]+ 341.17340 190.2
[M]- 341.17450 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.