CID 10717555

6-fluoro-7-(4-methyl-1-piperazinyl)-1-(2-naphthyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate

Structural Information

Molecular Formula
C25H22FN3O3
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5C=C4)F
InChI
InChI=1S/C25H22FN3O3/c1-27-8-10-28(11-9-27)23-14-22-19(13-21(23)26)24(30)20(25(31)32)15-29(22)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12-15H,8-11H2,1H3,(H,31,32)
InChIKey
JFRKJQAFTUUEEE-UHFFFAOYSA-N
Compound name
6-fluoro-7-(4-methylpiperazin-1-yl)-1-naphthalen-2-yl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.16452 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17180 207.1
[M+Na]+ 454.15374 215.9
[M-H]- 430.15724 211.9
[M+NH4]+ 449.19834 213.2
[M+K]+ 470.12768 207.5
[M+H-H2O]+ 414.16178 193.1
[M+HCOO]- 476.16272 217.8
[M+CH3COO]- 490.17837 214.0
[M+Na-2H]- 452.13919 208.1
[M]+ 431.16397 204.9
[M]- 431.16507 204.9
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.