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

literature stripe

Patent stripe

patents stripe