CID 15689273

2'-deoxy-4'-thiouridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

56
Patents

244.05177 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05905 150.4
[M+Na]+ 267.04099 159.7
[M-H]- 243.04449 151.4
[M+NH4]+ 262.08559 165.8
[M+K]+ 283.01493 154.8
[M+H-H2O]+ 227.04903 144.3
[M+HCOO]- 289.04997 163.3
[M+CH3COO]- 303.06562 181.1
[M+Na-2H]- 265.02644 149.5
[M]+ 244.05122 149.4
[M]- 244.05232 149.4
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

patents stripe