CID 5276643

(2r,3r,3as,9ar)-7-fluoro-3-hydroxy-2-(hydroxymethyl)-2,3,3a,9a-tetrahydrofuro[[?]:[?]]oxazolo[[?]]pyrimidin-6-one

Structural Information

Molecular Formula
C9H9FN2O5
SMILES
C1=C(C(=O)N=C2N1[C@H]3[C@@H](O2)[C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C9H9FN2O5/c10-3-1-12-8-6(5(14)4(2-13)16-8)17-9(12)11-7(3)15/h1,4-6,8,13-14H,2H2/t4-,5-,6+,8-/m1/s1
InChIKey
IKFXNFGQZPQQSR-MNCSTQPFSA-N
Compound name
(2R,4R,5R,6S)-11-fluoro-5-hydroxy-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.04955 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.056826 146.2
[M+Na]+ 267.038768 157.8
[M-H]- 243.042274 147.7
[M+NH4]+ 262.083373 163.3
[M+K]+ 283.012708 156.7
[M+H-H2O]+ 227.046810 140.9
[M+HCOO]- 289.047751 161.6
[M+CH3COO]- 303.063401 159.1
[M+Na-2H]- 265.024216 149.7
[M]+ 244.04900142 148.6
[M]- 244.05009858 148.6
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

No patent data available for this compound.