CID 172431614

Bay-2413555

Structural Information

Molecular Formula
C23H17F9N4O4
SMILES
C[C@@H](C(C(F)(F)F)(F)F)NC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3C[C@H]([C@@H](C3)O)O)C4=C(C=C(C=C4F)F)F
InChI
InChI=1S/C23H17F9N4O4/c1-8(22(28,29)23(30,31)32)33-21(40)11-5-36(17-12(25)2-9(24)3-13(17)26)19-10(18(11)39)4-14(27)20(34-19)35-6-15(37)16(38)7-35/h2-5,8,15-16,37-38H,6-7H2,1H3,(H,33,40)/t8-,15+,16+/m0/s1
InChIKey
VTFWALACVWFKNO-OCJYXSBASA-N
Compound name
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[(2S)-3,3,4,4,4-pentafluorobutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

584.1106 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.11788 202.1
[M+Na]+ 607.09982 203.0
[M+NH4]+ 602.14442 200.0
[M+K]+ 623.07376 202.2
[M-H]- 583.10332 195.5
[M+Na-2H]- 605.08527 199.4
[M]+ 584.11005 199.8
[M]- 584.11115 199.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.