CID 504425

1-(2,4-difluoro-phenyl)-6-fluoro-7-(4-{2-fluoro-4-[5-(r)--(1-hydroxy-prop-2-inyl)-2-oxo-oxazolidin-3-yl]-phenyl}-piperazin-1-yl)-4-oxo-1,4-dihydro-[1,8] naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C31H23F4N5O6
SMILES
C#CC([C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=C5C(=O)C(=CN(C5=N4)C6=C(C=C(C=C6)F)F)C(=O)O)F)F)O
InChI
InChI=1S/C31H23F4N5O6/c1-2-25(41)26-15-39(31(45)46-26)17-4-6-23(21(34)12-17)37-7-9-38(10-8-37)29-22(35)13-18-27(42)19(30(43)44)14-40(28(18)36-29)24-5-3-16(32)11-20(24)33/h1,3-6,11-14,25-26,41H,7-10,15H2,(H,43,44)/t25?,26-/m1/s1
InChIKey
LKWOWBLSVQBJOD-FXDYGKIASA-N
Compound name
1-(2,4-difluorophenyl)-6-fluoro-7-[4-[2-fluoro-4-[(5R)-5-(1-hydroxyprop-2-ynyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

637.15845 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.16573 241.9
[M+Na]+ 660.14767 250.4
[M-H]- 636.15117 240.5
[M+NH4]+ 655.19227 234.3
[M+K]+ 676.12161 239.6
[M+H-H2O]+ 620.15571 219.0
[M+HCOO]- 682.15665 236.9
[M+CH3COO]- 696.17230 241.5
[M+Na-2H]- 658.13312 229.3
[M]+ 637.15790 230.3
[M]- 637.15900 230.3
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.