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]+ 243.07979 151.2
[M+Na]+ 265.06173 160.4
[M-H]- 241.06523 155.2
[M+NH4]+ 260.10633 166.8
[M+K]+ 281.03567 158.0
[M+H-H2O]+ 225.06977 144.4
[M+HCOO]- 287.07071 165.8
[M+CH3COO]- 301.08636 186.1
[M+Na-2H]- 263.04718 151.8
[M]+ 242.07196 153.6
[M]- 242.07306 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.