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

literature stripe

Patent stripe

patents stripe