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]+ 245.05683 146.2
[M+Na]+ 267.03877 157.8
[M-H]- 243.04227 147.7
[M+NH4]+ 262.08337 163.3
[M+K]+ 283.01271 156.7
[M+H-H2O]+ 227.04681 140.9
[M+HCOO]- 289.04775 161.6
[M+CH3COO]- 303.06340 159.1
[M+Na-2H]- 265.02422 149.7
[M]+ 244.04900 148.6
[M]- 244.05010 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.