CID 3000238

Ddethds

Structural Information

Molecular Formula
C10H12N2O3S
SMILES
CC1=CN(C(=O)NC1=S)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C10H12N2O3S/c1-6-4-12(10(14)11-9(6)16)8-3-2-7(5-13)15-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,16)/t7-,8+/m0/s1
InChIKey
AMSFVDRQDYZGRS-JGVFFNPUSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

240.05687 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06415 150.1
[M+Na]+ 263.04609 161.1
[M-H]- 239.04959 153.6
[M+NH4]+ 258.09069 165.5
[M+K]+ 279.02003 156.8
[M+H-H2O]+ 223.05413 143.9
[M+HCOO]- 285.05507 164.7
[M+CH3COO]- 299.07072 183.9
[M+Na-2H]- 261.03154 150.4
[M]+ 240.05632 151.9
[M]- 240.05742 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.