CID 484859

7-[4-(3-chlorophenyl)piperazin-1-yl]-6-fluoro-4-oxo-1-[4-(triazol-1-ylmethyl)phenyl]-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C28H23ClFN7O3
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=CC=C(C=C5)CN6C=CN=N6)C(=O)O)F
InChI
InChI=1S/C28H23ClFN7O3/c29-19-2-1-3-21(14-19)34-10-12-35(13-11-34)27-24(30)15-22-25(38)23(28(39)40)17-37(26(22)32-27)20-6-4-18(5-7-20)16-36-9-8-31-33-36/h1-9,14-15,17H,10-13,16H2,(H,39,40)
InChIKey
VOUHQUSOMIXXCE-UHFFFAOYSA-N
Compound name
7-[4-(3-chlorophenyl)piperazin-1-yl]-6-fluoro-4-oxo-1-[4-(triazol-1-ylmethyl)phenyl]-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.1535 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.16078 232.1
[M+Na]+ 582.14272 241.1
[M-H]- 558.14622 237.5
[M+NH4]+ 577.18732 228.4
[M+K]+ 598.11666 230.0
[M+H-H2O]+ 542.15076 214.7
[M+HCOO]- 604.15170 234.9
[M+CH3COO]- 618.16735 235.8
[M+Na-2H]- 580.12817 229.0
[M]+ 559.15295 232.2
[M]- 559.15405 232.2
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.