CID 512005

Chembl3143606

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC(=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)C
InChI
InChI=1S/C13H18N2O5/c1-7(2)3-8-5-15(13(19)14-12(8)18)11-4-9(17)10(6-16)20-11/h3,5,9-11,16-17H,4,6H2,1-2H3,(H,14,18,19)/t9-,10+,11+/m0/s1
InChIKey
WZVFXMFAGVIUFP-HBNTYKKESA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-methylprop-1-enyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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]+ 283.12886 163.1
[M+Na]+ 305.11080 171.5
[M-H]- 281.11430 164.6
[M+NH4]+ 300.15540 175.2
[M+K]+ 321.08474 168.0
[M+H-H2O]+ 265.11884 156.2
[M+HCOO]- 327.11978 178.1
[M+CH3COO]- 341.13543 192.8
[M+Na-2H]- 303.09625 161.9
[M]+ 282.12103 162.3
[M]- 282.12213 162.3
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.