CID 514813

97974-98-6

Structural Information

Molecular Formula
C12H18N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCO)CO)O
InChI
InChI=1S/C12H18N2O6/c15-3-1-2-7-5-14(12(19)13-11(7)18)10-4-8(17)9(6-16)20-10/h5,8-10,15-17H,1-4,6H2,(H,13,18,19)/t8-,9+,10+/m0/s1
InChIKey
JNSIODWZAKVEOZ-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-hydroxypropyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.1165 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12378 162.3
[M+Na]+ 309.10572 170.2
[M-H]- 285.10922 162.4
[M+NH4]+ 304.15032 173.3
[M+K]+ 325.07966 166.9
[M+H-H2O]+ 269.11376 155.2
[M+HCOO]- 331.11470 177.0
[M+CH3COO]- 345.13035 190.4
[M+Na-2H]- 307.09117 162.4
[M]+ 286.11595 162.1
[M]- 286.11705 162.1
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.