CID 6479146

Chembl3143604

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CCC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C14H20N2O5/c1-2-3-4-5-9-7-16(14(20)15-13(9)19)12-6-10(18)11(8-17)21-12/h4-5,7,10-12,17-18H,2-3,6,8H2,1H3,(H,15,19,20)/b5-4+/t10-,11+,12+/m0/s1
InChIKey
RBUAHPWQGGMULS-MRPUBWEVSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.1372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 167.6
[M+Na]+ 319.12642 175.7
[M-H]- 295.12992 168.8
[M+NH4]+ 314.17102 179.1
[M+K]+ 335.10036 171.5
[M+H-H2O]+ 279.13446 160.3
[M+HCOO]- 341.13540 183.2
[M+CH3COO]- 355.15105 194.8
[M+Na-2H]- 317.11187 167.0
[M]+ 296.13665 167.6
[M]- 296.13775 167.6
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.