CID 5270760

3-quinolinecarboxylic acid, 6-fluoro-1-(2-fluoro-4-nitrophenyl)-1,4-dihydro-7-[4-[(8-hydroxy-2-quinolinyl)methyl]-1-piperazinyl]-4-oxo-

Structural Information

Molecular Formula
C30H23F2N5O6
SMILES
C1CN(CCN1CC2=NC3=C(C=CC=C3O)C=C2)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6=C(C=C(C=C6)[N+](=O)[O-])F)F
InChI
InChI=1S/C30H23F2N5O6/c31-22-12-19(37(42)43)6-7-24(22)36-16-21(30(40)41)29(39)20-13-23(32)26(14-25(20)36)35-10-8-34(9-11-35)15-18-5-4-17-2-1-3-27(38)28(17)33-18/h1-7,12-14,16,38H,8-11,15H2,(H,40,41)
InChIKey
KHJWGUJGQVAJMY-UHFFFAOYSA-N
Compound name
6-fluoro-1-(2-fluoro-4-nitrophenyl)-7-[4-[(8-hydroxyquinolin-2-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

587.1616 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.16888 239.7
[M+Na]+ 610.15082 244.6
[M-H]- 586.15432 243.8
[M+NH4]+ 605.19542 235.2
[M+K]+ 626.12476 232.3
[M+H-H2O]+ 570.15886 226.2
[M+HCOO]- 632.15980 245.8
[M+CH3COO]- 646.17545 251.2
[M+Na-2H]- 608.13627 241.3
[M]+ 587.16105 234.8
[M]- 587.16215 234.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.