CID 483943

2'-deoxy-5-methoxy-4'-thiouridine

Structural Information

Molecular Formula
C10H14N2O5S
SMILES
COC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O
InChI
InChI=1S/C10H14N2O5S/c1-17-6-3-12(10(16)11-9(6)15)8-2-5(14)7(4-13)18-8/h3,5,7-8,13-14H,2,4H2,1H3,(H,11,15,16)/t5-,7+,8+/m0/s1
InChIKey
SYOGWVBNFCLVJB-UIISKDMLSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.06235 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06963 157.2
[M+Na]+ 297.05157 166.6
[M-H]- 273.05507 158.4
[M+NH4]+ 292.09617 171.5
[M+K]+ 313.02551 162.1
[M+H-H2O]+ 257.05961 151.1
[M+HCOO]- 319.06055 169.9
[M+CH3COO]- 333.07620 187.7
[M+Na-2H]- 295.03702 155.5
[M]+ 274.06180 158.4
[M]- 274.06290 158.4
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.