CID 11543657

5-(2-hydroxyethyl)-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-2-thioxo-pyrimidin-4-one

Structural Information

Molecular Formula
C10H16N2O5S
SMILES
C1=C(C(=O)NC(=S)N1COC(CO)CO)CCO
InChI
InChI=1S/C10H16N2O5S/c13-2-1-7-3-12(10(18)11-9(7)16)6-17-8(4-14)5-15/h3,8,13-15H,1-2,4-6H2,(H,11,16,18)
InChIKey
HFUHISMIRMESPE-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(2-hydroxyethyl)-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.078 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08528 158.2
[M+Na]+ 299.06722 165.6
[M-H]- 275.07072 154.0
[M+NH4]+ 294.11182 169.6
[M+K]+ 315.04116 160.4
[M+H-H2O]+ 259.07526 151.5
[M+HCOO]- 321.07620 168.8
[M+CH3COO]- 335.09185 187.2
[M+Na-2H]- 297.05267 157.9
[M]+ 276.07745 160.3
[M]- 276.07855 160.3
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.