CID 3012251

2'-deoxy-2-thiouridine

Structural Information

Molecular Formula
C9H12N2O4S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=S)CO)O
InChI
InChI=1S/C9H12N2O4S/c12-4-6-5(13)3-8(15-6)11-2-1-7(14)10-9(11)16/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,16)/t5-,6+,8+/m0/s1
InChIKey
QVBGIJMTWBYCDQ-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

244.05177 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05905 150.6
[M+Na]+ 267.04099 160.2
[M-H]- 243.04449 152.3
[M+NH4]+ 262.08559 164.8
[M+K]+ 283.01493 156.1
[M+H-H2O]+ 227.04903 144.6
[M+HCOO]- 289.04997 162.7
[M+CH3COO]- 303.06562 181.2
[M+Na-2H]- 265.02644 150.3
[M]+ 244.05122 150.2
[M]- 244.05232 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.