CID 5271259

133040-32-1

Structural Information

Molecular Formula
C13H15N3O6
SMILES
CC1=NOC(=C1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C13H15N3O6/c1-6-2-9(22-15-6)7-4-16(13(20)14-12(7)19)11-3-8(18)10(5-17)21-11/h2,4,8,10-11,17-18H,3,5H2,1H3,(H,14,19,20)/t8-,10+,11+/m0/s1
InChIKey
GBLOVFDLOVVYPI-JMJZKYOTSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.0961 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10338 166.6
[M+Na]+ 332.08532 176.4
[M-H]- 308.08882 171.7
[M+NH4]+ 327.12992 176.4
[M+K]+ 348.05926 174.2
[M+H-H2O]+ 292.09336 159.4
[M+HCOO]- 354.09430 182.3
[M+CH3COO]- 368.10995 196.6
[M+Na-2H]- 330.07077 165.6
[M]+ 309.09555 168.4
[M]- 309.09665 168.4
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.