CID 494354

5-hexyl-1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C15H24N2O5
SMILES
CCCCCCC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O
InChI
InChI=1S/C15H24N2O5/c1-2-3-4-5-6-10-8-17(15(21)16-14(10)20)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m1/s1
InChIKey
DZGIFYLUHQAETO-AGIUHOORSA-N
Compound name
5-hexyl-1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

312.16852 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17580 172.8
[M+Na]+ 335.15774 180.0
[M-H]- 311.16124 173.7
[M+NH4]+ 330.20234 183.6
[M+K]+ 351.13168 176.2
[M+H-H2O]+ 295.16578 165.1
[M+HCOO]- 357.16672 187.8
[M+CH3COO]- 371.18237 199.1
[M+Na-2H]- 333.14319 171.7
[M]+ 312.16797 173.9
[M]- 312.16907 173.9
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.