CID 3013164

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

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)CCO[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C12H16N2O5/c1-8-6-14(12(17)13-11(8)16)4-5-18-10-3-2-9(7-15)19-10/h2-3,6,9-10,15H,4-5,7H2,1H3,(H,13,16,17)/t9-,10+/m0/s1
InChIKey
KCMLMUGUWHDMAH-VHSXEESVSA-N
Compound name
1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.10593 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 156.8
[M+Na]+ 291.09515 166.1
[M-H]- 267.09865 159.7
[M+NH4]+ 286.13975 170.0
[M+K]+ 307.06909 163.5
[M+H-H2O]+ 251.10319 149.2
[M+HCOO]- 313.10413 175.9
[M+CH3COO]- 327.11978 190.6
[M+Na-2H]- 289.08060 159.4
[M]+ 268.10538 159.8
[M]- 268.10648 159.8
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.