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

75
Patents

242.07251 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 151.5
[M+Na]+ 265.06173 161.5
[M-H]- 241.06523 154.6
[M+NH4]+ 260.10633 166.7
[M+K]+ 281.03567 157.5
[M+H-H2O]+ 225.06977 145.4
[M+HCOO]- 287.07071 164.7
[M+CH3COO]- 301.08636 184.2
[M+Na-2H]- 263.04718 151.0
[M]+ 242.07196 151.9
[M]- 242.07306 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

No patent data available for this compound.