CID 6479143

Chembl3143613

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C13H18N2O5/c1-2-3-4-8-6-15(13(19)14-12(8)18)11-5-9(17)10(7-16)20-11/h3-4,6,9-11,16-17H,2,5,7H2,1H3,(H,14,18,19)/b4-3+/t9-,10+,11+/m0/s1
InChIKey
KLTGVKYEAMZTMH-BJPDOBEOSA-N
Compound name
5-[(E)-but-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.12158 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.128856 163.1
[M+Na]+ 305.110798 171.7
[M-H]- 281.114304 164.5
[M+NH4]+ 300.155403 175.2
[M+K]+ 321.084738 167.7
[M+H-H2O]+ 265.118840 156.0
[M+HCOO]- 327.119781 179.1
[M+CH3COO]- 341.135431 191.8
[M+Na-2H]- 303.096246 163.1
[M]+ 282.12103142 162.9
[M]- 282.12212858 162.9
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

No patent data available for this compound.