CID 5274081

Schembl4621374

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CC1=CN(C(=S)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C10H14N2O3S/c1-6-4-12(10(16)11-9(6)14)8-3-2-7(5-13)15-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,16)/t7-,8+/m0/s1
InChIKey
WTJGNHUYUJHHID-JGVFFNPUSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

242.07251 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.079786 151.5
[M+Na]+ 265.061728 161.5
[M-H]- 241.065234 154.6
[M+NH4]+ 260.106333 166.7
[M+K]+ 281.035668 157.5
[M+H-H2O]+ 225.069770 145.4
[M+HCOO]- 287.070711 164.7
[M+CH3COO]- 301.086361 184.2
[M+Na-2H]- 263.047176 151.0
[M]+ 242.07196142 151.9
[M]- 242.07305858 151.9
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

patents stripe