CID 15957676

77875-99-1

Structural Information

Molecular Formula
C12H14N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCO)CO)O
InChI
InChI=1S/C12H14N2O6/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,3-4,6H2,(H,13,18,19)/t8-,9+,10+/m0/s1
InChIKey
OZFVVNYCZRZMDG-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

46
Patents

282.08517 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09245 159.4
[M+Na]+ 305.07439 169.5
[M-H]- 281.07789 157.5
[M+NH4]+ 300.11899 169.0
[M+K]+ 321.04833 165.0
[M+H-H2O]+ 265.08243 146.1
[M+HCOO]- 327.08337 169.0
[M+CH3COO]- 341.09902 194.9
[M+Na-2H]- 303.05984 158.7
[M]+ 282.08462 152.7
[M]- 282.08572 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.