CID 483097

6-chloro-1-cyclopropyl-8-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid

Structural Information

Molecular Formula
C17H17ClFN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNCC4)Cl)C(=O)O
InChI
InChI=1S/C17H17ClFN3O3/c18-12-7-10-14(13(19)15(12)21-5-3-20-4-6-21)22(9-1-2-9)8-11(16(10)23)17(24)25/h7-9,20H,1-6H2,(H,24,25)
InChIKey
RVNRLLPNOCEJKU-UHFFFAOYSA-N
Compound name
6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

365.09424 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10152 185.4
[M+Na]+ 388.08346 195.6
[M-H]- 364.08696 188.1
[M+NH4]+ 383.12806 189.8
[M+K]+ 404.05740 186.6
[M+H-H2O]+ 348.09150 175.5
[M+HCOO]- 410.09244 192.1
[M+CH3COO]- 424.10809 192.9
[M+Na-2H]- 386.06891 184.5
[M]+ 365.09369 184.6
[M]- 365.09479 184.6
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

patents stripe