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

literature stripe

Patent stripe

patents stripe