CID 503312

4(1h)-pyrimidinone, 2-(methylthio)-1-[tetrahydro-5-(hydroxymethyl)-2-furanyl]-

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CSC1=NC(=O)C=CN1[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C10H14N2O3S/c1-16-10-11-8(14)4-5-12(10)9-3-2-7(6-13)15-9/h4-5,7,9,13H,2-3,6H2,1H3/t7-,9+/m0/s1
InChIKey
YSNNFCPVWGDQJY-IONNQARKSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.079786 151.2
[M+Na]+ 265.061728 160.4
[M-H]- 241.065234 155.2
[M+NH4]+ 260.106333 166.8
[M+K]+ 281.035668 158.0
[M+H-H2O]+ 225.069770 144.4
[M+HCOO]- 287.070711 165.8
[M+CH3COO]- 301.086361 186.1
[M+Na-2H]- 263.047176 151.8
[M]+ 242.07196142 153.6
[M]- 242.07305858 153.6
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.