CID 10647027

6-fluoro-7-[(3r,5r)-dimethyl-1-piperazinyl]-1-(2-naphthyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C25H23FN4O3
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=CC5=CC=CC=C5C=C4)C(=O)O)F
InChI
InChI=1S/C25H23FN4O3/c1-14-11-29(12-15(2)27-14)24-21(26)10-19-22(31)20(25(32)33)13-30(23(19)28-24)18-8-7-16-5-3-4-6-17(16)9-18/h3-10,13-15,27H,11-12H2,1-2H3,(H,32,33)/t14-,15+
InChIKey
YGYAISGIUVQDJR-GASCZTMLSA-N
Compound name
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-naphthalen-2-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18268 213.4
[M+Na]+ 469.16462 222.5
[M-H]- 445.16812 215.9
[M+NH4]+ 464.20922 217.0
[M+K]+ 485.13856 213.1
[M+H-H2O]+ 429.17266 199.3
[M+HCOO]- 491.17360 221.1
[M+CH3COO]- 505.18925 219.1
[M+Na-2H]- 467.15007 213.3
[M]+ 446.17485 210.5
[M]- 446.17595 210.5
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.