CID 473283

1-[(2s,4s,5s)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H9F2IN2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@@H]2C([C@H]([C@@H](O2)CO)O)(F)F)I
InChI
InChI=1S/C9H9F2IN2O5/c10-9(11)5(16)4(2-15)19-7(9)14-1-3(12)6(17)13-8(14)18/h1,4-5,7,15-16H,2H2,(H,13,17,18)/t4-,5-,7-/m0/s1
InChIKey
BJRMDAMJOPZBGQ-VPLCAKHXSA-N
Compound name
1-[(2S,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

389.95242 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.95970 160.4
[M+Na]+ 412.94164 164.8
[M-H]- 388.94514 153.5
[M+NH4]+ 407.98624 170.0
[M+K]+ 428.91558 167.3
[M+H-H2O]+ 372.94968 149.7
[M+HCOO]- 434.95062 170.5
[M+CH3COO]- 448.96627 198.3
[M+Na-2H]- 410.92709 150.3
[M]+ 389.95187 155.9
[M]- 389.95297 155.9
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.