CID 484887

1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C28H28FN5O3
SMILES
CN(C)CC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(N=C32)N4CCN(CC4)C5=CC=CC=C5)F)C(=O)O
InChI
InChI=1S/C28H28FN5O3/c1-31(2)17-19-8-10-21(11-9-19)34-18-23(28(36)37)25(35)22-16-24(29)27(30-26(22)34)33-14-12-32(13-15-33)20-6-4-3-5-7-20/h3-11,16,18H,12-15,17H2,1-2H3,(H,36,37)
InChIKey
LNFGSZMNQMLVMF-UHFFFAOYSA-N
Compound name
1-[4-[(dimethylamino)methyl]phenyl]-6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.21762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.22490 225.2
[M+Na]+ 524.20684 230.7
[M-H]- 500.21034 231.4
[M+NH4]+ 519.25144 225.7
[M+K]+ 540.18078 223.0
[M+H-H2O]+ 484.21488 209.1
[M+HCOO]- 546.21582 235.1
[M+CH3COO]- 560.23147 229.8
[M+Na-2H]- 522.19229 223.7
[M]+ 501.21707 222.3
[M]- 501.21817 222.3
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.