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

literature stripe

Patent stripe

patents stripe