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]+ 283.12886 161.4
[M+Na]+ 305.11080 170.1
[M-H]- 281.11430 164.0
[M+NH4]+ 300.15540 173.9
[M+K]+ 321.08474 167.4
[M+H-H2O]+ 265.11884 153.6
[M+HCOO]- 327.11978 180.1
[M+CH3COO]- 341.13543 193.6
[M+Na-2H]- 303.09625 163.4
[M]+ 282.12103 164.7
[M]- 282.12213 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.