CID 461148

5'-me.b.d-allo-flt

Structural Information

Molecular Formula
C11H15FN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)[C@@H](C)O)F
InChI
InChI=1S/C11H15FN2O4/c1-5-4-14(11(17)13-10(5)16)8-3-7(12)9(18-8)6(2)15/h4,6-9,15H,3H2,1-2H3,(H,13,16,17)/t6-,7+,8-,9-/m1/s1
InChIKey
RZVGVXHUNMLXIX-BZNPZCIMSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1016 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10888 154.1
[M+Na]+ 281.09082 163.7
[M-H]- 257.09432 155.9
[M+NH4]+ 276.13542 167.9
[M+K]+ 297.06476 161.0
[M+H-H2O]+ 241.09886 146.5
[M+HCOO]- 303.09980 169.9
[M+CH3COO]- 317.11545 190.7
[M+Na-2H]- 279.07627 153.7
[M]+ 258.10105 152.7
[M]- 258.10215 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.