CID 3013163

1-[3-[[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]propyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC1=CN(C(=O)NC1=O)CCCO[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C13H18N2O5/c1-9-7-15(13(18)14-12(9)17)5-2-6-19-11-4-3-10(8-16)20-11/h3-4,7,10-11,16H,2,5-6,8H2,1H3,(H,14,17,18)/t10-,11+/m0/s1
InChIKey
AJPBXYNFSPBWKZ-WDEREUQCSA-N
Compound name
1-[3-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]propyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.12158 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.128856 161.4
[M+Na]+ 305.110798 170.1
[M-H]- 281.114304 164.0
[M+NH4]+ 300.155403 173.9
[M+K]+ 321.084738 167.4
[M+H-H2O]+ 265.118840 153.6
[M+HCOO]- 327.119781 180.1
[M+CH3COO]- 341.135431 193.6
[M+Na-2H]- 303.096246 163.4
[M]+ 282.12103142 164.7
[M]- 282.12212858 164.7
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.