CID 6479136

Chembl3143631

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
C/C=C/C1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H16N2O4S/c1-2-3-7-5-14(12(17)13-11(7)19)10-4-8(16)9(6-15)18-10/h2-3,5,8-10,15-16H,4,6H2,1H3,(H,13,17,19)/b3-2+/t8-,9+,10+/m0/s1
InChIKey
HVBIEYLSLPPGEY-YJCWOPNRSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]-4-sulfanylidenepyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.08307 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09035 163.3
[M+Na]+ 307.07229 172.8
[M-H]- 283.07579 165.0
[M+NH4]+ 302.11689 176.2
[M+K]+ 323.04623 167.4
[M+H-H2O]+ 267.08033 157.2
[M+HCOO]- 329.08127 174.6
[M+CH3COO]- 343.09692 190.2
[M+Na-2H]- 305.05774 160.9
[M]+ 284.08252 163.6
[M]- 284.08362 163.6
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

No patent data available for this compound.