CID 473844

D4emurd

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CCOCC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C12H16N2O5/c1-2-18-7-8-5-14(12(17)13-11(8)16)10-4-3-9(6-15)19-10/h3-5,9-10,15H,2,6-7H2,1H3,(H,13,16,17)/t9-,10+/m0/s1
InChIKey
WJNOSXACZWODHM-VHSXEESVSA-N
Compound name
5-(ethoxymethyl)-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

268.10593 Da
Monoisotopic Mass

-1.2
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

patents stripe