CID 484881

175457-26-8

Structural Information

Molecular Formula
C28H27FN6O4
SMILES
C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=CC(=CC=C5)N6CCOCC6)C(=O)O)F
InChI
InChI=1S/C28H27FN6O4/c29-23-17-21-25(36)22(28(37)38)18-35(20-5-3-4-19(16-20)32-12-14-39-15-13-32)26(21)31-27(23)34-10-8-33(9-11-34)24-6-1-2-7-30-24/h1-7,16-18H,8-15H2,(H,37,38)
InChIKey
JYXSKJYDHOMZBJ-UHFFFAOYSA-N
Compound name
6-fluoro-1-(3-morpholin-4-ylphenyl)-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.20776 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.21504 232.9
[M+Na]+ 553.19698 237.2
[M-H]- 529.20048 237.8
[M+NH4]+ 548.24158 226.7
[M+K]+ 569.17092 228.9
[M+H-H2O]+ 513.20502 214.2
[M+HCOO]- 575.20596 234.3
[M+CH3COO]- 589.22161 234.7
[M+Na-2H]- 551.18243 230.1
[M]+ 530.20721 225.2
[M]- 530.20831 225.2
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.