CID 154699624

Ns00117909

Structural Information

Molecular Formula
C26H23F3N4O9
SMILES
C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)F
InChI
InChI=1S/C26H23F3N4O9/c27-8-1-2-15(13(28)3-8)33-7-12(25(40)42-26-20(37)18(35)19(36)21(41-26)24(38)39)17(34)9-4-14(29)23(31-22(9)33)32-5-10-11(6-32)16(10)30/h1-4,7,10-11,16,18-21,26,35-37H,5-6,30H2,(H,38,39)/t10-,11+,16?,18-,19-,20+,21-,26?/m0/s1
InChIKey
GTZVGNAECYGIIQ-VRAMAHGZSA-N
Compound name
(2S,3S,4S,5R)-6-[7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.1417 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.14898 231.5
[M+Na]+ 615.13092 240.1
[M-H]- 591.13442 235.0
[M+NH4]+ 610.17552 225.7
[M+K]+ 631.10486 233.6
[M+H-H2O]+ 575.13896 221.6
[M+HCOO]- 637.13990 233.2
[M+CH3COO]- 651.15555 260.2
[M+Na-2H]- 613.11637 233.1
[M]+ 592.14115 232.2
[M]- 592.14225 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

literature stripe

Patent stripe

No patent data available for this compound.