CID 513512

2-(3,4-dihydroxy-5-methoxy-tetrahydro-furan-2-ylmethylsulfanyl)-5-methyl-1h-pyrimidin-4-one

Structural Information

Molecular Formula
C11H16N2O5S
SMILES
CC1=CN=C(NC1=O)SCC2C(C(C(O2)OC)O)O
InChI
InChI=1S/C11H16N2O5S/c1-5-3-12-11(13-9(5)16)19-4-6-7(14)8(15)10(17-2)18-6/h3,6-8,10,14-15H,4H2,1-2H3,(H,12,13,16)
InChIKey
XQVRYWUYUGTAOR-UHFFFAOYSA-N
Compound name
2-[(3,4-dihydroxy-5-methoxyoxolan-2-yl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.078 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08528 162.1
[M+Na]+ 311.06722 171.0
[M-H]- 287.07072 163.8
[M+NH4]+ 306.11182 174.7
[M+K]+ 327.04116 167.8
[M+H-H2O]+ 271.07526 155.8
[M+HCOO]- 333.07620 173.6
[M+CH3COO]- 347.09185 191.5
[M+Na-2H]- 309.05267 160.6
[M]+ 288.07745 165.0
[M]- 288.07855 165.0
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.