CID 3000256

2',3'-dideoxy-4-thiouridine

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC(=S)NC2=O
InChI
InChI=1S/C9H12N2O3S/c12-5-6-1-2-8(14-6)11-4-3-7(15)10-9(11)13/h3-4,6,8,12H,1-2,5H2,(H,10,13,15)/t6-,8+/m0/s1
InChIKey
HFUKRBLAIFTSMI-POYBYMJQSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

228.05687 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06415 147.1
[M+Na]+ 251.04609 156.6
[M-H]- 227.04959 149.9
[M+NH4]+ 246.09069 162.5
[M+K]+ 267.02003 152.8
[M+H-H2O]+ 211.05413 140.8
[M+HCOO]- 273.05507 160.6
[M+CH3COO]- 287.07072 180.0
[M+Na-2H]- 249.03154 147.7
[M]+ 228.05632 146.7
[M]- 228.05742 146.7
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