CID 65563

73-39-2

Structural Information

Molecular Formula
C12H16N2O5
SMILES
C=CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H16N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h2,5,8-10,15-16H,1,3-4,6H2,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
XUAFMQXKGPTTJN-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

23
Patents

268.10593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 158.4
[M+Na]+ 291.09515 167.3
[M-H]- 267.09865 159.8
[M+NH4]+ 286.13975 170.9
[M+K]+ 307.06909 163.5
[M+H-H2O]+ 251.10319 151.4
[M+HCOO]- 313.10413 174.6
[M+CH3COO]- 327.11978 189.4
[M+Na-2H]- 289.08060 158.8
[M]+ 268.10538 157.8
[M]- 268.10648 157.8
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.