CID 483101

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

Structural Information

Molecular Formula
C18H19ClFN3O3
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)Cl
InChI
InChI=1S/C18H19ClFN3O3/c1-21-4-6-22(7-5-21)16-13(19)8-11-15(14(16)20)23(10-2-3-10)9-12(17(11)24)18(25)26/h8-10H,2-7H2,1H3,(H,25,26)
InChIKey
RLUFLHDQRXMIRL-UHFFFAOYSA-N
Compound name
6-chloro-1-cyclopropyl-8-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1099 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.11718 191.6
[M+Na]+ 402.09912 202.6
[M-H]- 378.10262 195.7
[M+NH4]+ 397.14372 196.3
[M+K]+ 418.07306 194.1
[M+H-H2O]+ 362.10716 181.3
[M+HCOO]- 424.10810 199.2
[M+CH3COO]- 438.12375 199.4
[M+Na-2H]- 400.08457 189.6
[M]+ 379.10935 193.1
[M]- 379.11045 193.1
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.