CID 503313

4(1h)-pyrimidinone, 6-methyl-2-(methylthio)-1-[tetrahydro-5-(hydroxymethyl)-2-furanyl]-

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
CC1=CC(=O)N=C(N1[C@H]2CC[C@H](O2)CO)SC
InChI
InChI=1S/C11H16N2O3S/c1-7-5-9(15)12-11(17-2)13(7)10-4-3-8(6-14)16-10/h5,8,10,14H,3-4,6H2,1-2H3/t8-,10+/m0/s1
InChIKey
RDBXPJKAQKENNT-WCBMZHEXSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-2-methylsulfanylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08817 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.095446 155.6
[M+Na]+ 279.077388 165.3
[M-H]- 255.080894 159.9
[M+NH4]+ 274.121993 171.0
[M+K]+ 295.051328 162.6
[M+H-H2O]+ 239.085430 149.0
[M+HCOO]- 301.086371 169.9
[M+CH3COO]- 315.102021 190.3
[M+Na-2H]- 277.062836 155.1
[M]+ 256.08762142 158.9
[M]- 256.08871858 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.