CID 453688

Nsc649647

Structural Information

Molecular Formula
C11H14N2O5
SMILES
COCC1=CN(C(=O)NC1=O)C2C=C[C@H](O2)CO
InChI
InChI=1S/C11H14N2O5/c1-17-6-7-4-13(11(16)12-10(7)15)9-3-2-8(5-14)18-9/h2-4,8-9,14H,5-6H2,1H3,(H,12,15,16)/t8-,9?/m0/s1
InChIKey
UZYJMKFWKOIGLB-IENPIDJESA-N
Compound name
1-[(5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.09027 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 152.3
[M+Na]+ 277.07949 162.0
[M-H]- 253.08299 155.3
[M+NH4]+ 272.12409 166.0
[M+K]+ 293.05343 159.6
[M+H-H2O]+ 237.08753 144.9
[M+HCOO]- 299.08847 171.7
[M+CH3COO]- 313.10412 187.6
[M+Na-2H]- 275.06494 155.4
[M]+ 254.08972 154.9
[M]- 254.09082 154.9
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.