CID 483948

5-cyano-2'-deoxy-4'-thiouridine

Structural Information

Molecular Formula
C10H11N3O4S
SMILES
C1[C@@H]([C@H](S[C@H]1N2C=C(C(=O)NC2=O)C#N)CO)O
InChI
InChI=1S/C10H11N3O4S/c11-2-5-3-13(10(17)12-9(5)16)8-1-6(15)7(4-14)18-8/h3,6-8,14-15H,1,4H2,(H,12,16,17)/t6-,7+,8+/m0/s1
InChIKey
OTKYBZXCZFHHJO-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.04703 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05431 160.5
[M+Na]+ 292.03625 171.6
[M-H]- 268.03975 161.2
[M+NH4]+ 287.08085 173.4
[M+K]+ 308.01019 166.7
[M+H-H2O]+ 252.04429 147.6
[M+HCOO]- 314.04523 170.0
[M+CH3COO]- 328.06088 198.3
[M+Na-2H]- 290.02170 158.6
[M]+ 269.04648 155.0
[M]- 269.04758 155.0
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.