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

1
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

patents stripe