CID 44144498

Fvudr

Structural Information

Molecular Formula
C11H13FN2O6
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)/C=C\F
InChI
InChI=1S/C11H13FN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1-/t6-,7-,8-,10-/m1/s1
InChIKey
DUMHHKBYUKEXQE-FJHCEMISSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(Z)-2-fluoroethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.07578 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08306 159.9
[M+Na]+ 311.06500 169.5
[M-H]- 287.06850 159.2
[M+NH4]+ 306.10960 171.0
[M+K]+ 327.03894 165.3
[M+H-H2O]+ 271.07304 152.4
[M+HCOO]- 333.07398 174.0
[M+CH3COO]- 347.08963 190.2
[M+Na-2H]- 309.05045 159.2
[M]+ 288.07523 157.8
[M]- 288.07633 157.8
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.