CID 3013162

1-[4-[[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]butyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CC1=CN(C(=O)NC1=O)CCCCO[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C14H20N2O5/c1-10-8-16(14(19)15-13(10)18)6-2-3-7-20-12-5-4-11(9-17)21-12/h4-5,8,11-12,17H,2-3,6-7,9H2,1H3,(H,15,18,19)/t11-,12+/m0/s1
InChIKey
VLLRVJOYHFWHKX-NWDGAFQWSA-N
Compound name
1-[4-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]butyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1372 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 165.9
[M+Na]+ 319.12642 174.2
[M-H]- 295.12992 168.4
[M+NH4]+ 314.17102 177.9
[M+K]+ 335.10036 171.2
[M+H-H2O]+ 279.13446 157.9
[M+HCOO]- 341.13540 184.3
[M+CH3COO]- 355.15105 196.6
[M+Na-2H]- 317.11187 167.4
[M]+ 296.13665 169.5
[M]- 296.13775 169.5
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.