CID 10550672

6-fluoro-7-(4-methyl-1-piperazinyl)-1-(1-naphthyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C24H21FN4O3
SMILES
CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=CC=CC5=CC=CC=C54)C(=O)O)F
InChI
InChI=1S/C24H21FN4O3/c1-27-9-11-28(12-10-27)23-19(25)13-17-21(30)18(24(31)32)14-29(22(17)26-23)20-8-4-6-15-5-2-3-7-16(15)20/h2-8,13-14H,9-12H2,1H3,(H,31,32)
InChIKey
QUYRYCPYIGHCIN-UHFFFAOYSA-N
Compound name
6-fluoro-7-(4-methylpiperazin-1-yl)-1-naphthalen-1-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.15976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16704 208.1
[M+Na]+ 455.14898 217.2
[M-H]- 431.15248 211.7
[M+NH4]+ 450.19358 212.7
[M+K]+ 471.12292 208.6
[M+H-H2O]+ 415.15702 193.5
[M+HCOO]- 477.15796 217.7
[M+CH3COO]- 491.17361 214.5
[M+Na-2H]- 453.13443 209.6
[M]+ 432.15921 206.0
[M]- 432.16031 206.0
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.