CID 513506

1-[(3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl)methyl]-2-methylsulfanyl-pyrimidin-4-one

Structural Information

Molecular Formula
C11H16N2O5S
SMILES
COC1C(C(C(O1)CN2C=CC(=O)N=C2SC)O)O
InChI
InChI=1S/C11H16N2O5S/c1-17-10-9(16)8(15)6(18-10)5-13-4-3-7(14)12-11(13)19-2/h3-4,6,8-10,15-16H,5H2,1-2H3
InChIKey
PLXUHLRMUJIHII-UHFFFAOYSA-N
Compound name
1-[(3,4-dihydroxy-5-methoxyoxolan-2-yl)methyl]-2-methylsulfanylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.078 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08528 161.7
[M+Na]+ 311.06722 171.1
[M-H]- 287.07072 164.8
[M+NH4]+ 306.11182 175.0
[M+K]+ 327.04116 168.7
[M+H-H2O]+ 271.07526 155.2
[M+HCOO]- 333.07620 174.7
[M+CH3COO]- 347.09185 193.7
[M+Na-2H]- 309.05267 160.5
[M]+ 288.07745 166.3
[M]- 288.07855 166.3
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.