CID 10477845

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

Structural Information

Molecular Formula
C25H22FN3O3
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5C=C4)F
InChI
InChI=1S/C25H22FN3O3/c1-15-13-28(9-8-27-15)23-12-22-19(11-21(23)26)24(30)20(25(31)32)14-29(22)18-7-6-16-4-2-3-5-17(16)10-18/h2-7,10-12,14-15,27H,8-9,13H2,1H3,(H,31,32)
InChIKey
VTNXMCGJLHKFIJ-UHFFFAOYSA-N
Compound name
6-fluoro-7-(3-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

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17180 206.7
[M+Na]+ 454.15374 215.1
[M-H]- 430.15724 210.3
[M+NH4]+ 449.19834 212.2
[M+K]+ 470.12768 206.0
[M+H-H2O]+ 414.16178 193.2
[M+HCOO]- 476.16272 216.0
[M+CH3COO]- 490.17837 213.0
[M+Na-2H]- 452.13919 207.5
[M]+ 431.16397 202.9
[M]- 431.16507 202.9
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.