CID 503315

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

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
CC1=CN(C(=NC1=O)SC)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C11H16N2O3S/c1-7-5-13(11(17-2)12-10(7)15)9-4-3-8(6-14)16-9/h5,8-9,14H,3-4,6H2,1-2H3/t8-,9+/m0/s1
InChIKey
HPLOREZOOIBMOM-DTWKUNHWSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylsulfanylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08817 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09545 155.6
[M+Na]+ 279.07739 165.3
[M-H]- 255.08089 159.9
[M+NH4]+ 274.12199 171.0
[M+K]+ 295.05133 162.6
[M+H-H2O]+ 239.08543 149.0
[M+HCOO]- 301.08637 169.9
[M+CH3COO]- 315.10202 190.3
[M+Na-2H]- 277.06284 155.1
[M]+ 256.08762 158.9
[M]- 256.08872 158.9
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.