CID 483927

2'-deoxy-5-isopropenyl-4'-thiouridine

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
CC(=C)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O
InChI
InChI=1S/C12H16N2O4S/c1-6(2)7-4-14(12(18)13-11(7)17)10-3-8(16)9(5-15)19-10/h4,8-10,15-16H,1,3,5H2,2H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
SHFFLJGXXYSQCO-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.08307 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09035 162.4
[M+Na]+ 307.07229 171.1
[M-H]- 283.07579 163.4
[M+NH4]+ 302.11689 176.3
[M+K]+ 323.04623 165.6
[M+H-H2O]+ 267.08033 156.3
[M+HCOO]- 329.08127 173.4
[M+CH3COO]- 343.09692 191.6
[M+Na-2H]- 305.05774 158.4
[M]+ 284.08252 161.6
[M]- 284.08362 161.6
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.