CID 76685216

Zoliflodacin

Structural Information

Molecular Formula
C22H22FN5O7
SMILES
C[C@@H]1CN2[C@H]([C@@H](O1)C)C3(CC4=CC5=C(C(=C42)F)ON=C5N6[C@H](COC6=O)C)C(=O)NC(=O)NC3=O
InChI
InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1
InChIKey
ZSWMIFNWDQEXDT-ZESJGQACSA-N
Compound name
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

46
References

137
Patents

487.15033 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.15761 220.0
[M+Na]+ 510.13955 230.4
[M-H]- 486.14305 224.0
[M+NH4]+ 505.18415 224.1
[M+K]+ 526.11349 226.3
[M+H-H2O]+ 470.14759 210.4
[M+HCOO]- 532.14853 219.5
[M+CH3COO]- 546.16418 225.6
[M+Na-2H]- 508.12500 212.8
[M]+ 487.14978 218.6
[M]- 487.15088 218.6
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

patents stripe