CID 5274007

2,4(1h,3h)-pyrimidinedione, 5-[(e)-2-ethoxyethenyl]-1-[(2r,5s)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CCO/C=C/C1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C13H18N2O5/c1-2-19-6-5-9-7-15(13(18)14-12(9)17)11-4-3-10(8-16)20-11/h5-7,10-11,16H,2-4,8H2,1H3,(H,14,17,18)/b6-5+/t10-,11+/m0/s1
InChIKey
CFZKYOMPHCYJIQ-PFDYWKIBSA-N
Compound name
5-[(E)-2-ethoxyethenyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.128856 162.1
[M+Na]+ 305.110798 170.2
[M-H]- 281.114304 164.4
[M+NH4]+ 300.155403 174.6
[M+K]+ 321.084738 167.1
[M+H-H2O]+ 265.118840 154.4
[M+HCOO]- 327.119781 179.6
[M+CH3COO]- 341.135431 192.6
[M+Na-2H]- 303.096246 163.2
[M]+ 282.12103142 163.2
[M]- 282.12212858 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.