CID 483924

5-tert-butyl-2'-deoxy-4'-thiouridine

Structural Information

Molecular Formula
C13H20N2O4S
SMILES
CC(C)(C)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O
InChI
InChI=1S/C13H20N2O4S/c1-13(2,3)7-5-15(12(19)14-11(7)18)10-4-8(17)9(6-16)20-10/h5,8-10,16-17H,4,6H2,1-3H3,(H,14,18,19)/t8-,9+,10+/m0/s1
InChIKey
LLAYHABBEHJNRR-IVZWLZJFSA-N
Compound name
5-tert-butyl-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

2
References

0
Patents

300.11438 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12166 169.1
[M+Na]+ 323.10360 177.8
[M-H]- 299.10710 170.1
[M+NH4]+ 318.14820 182.7
[M+K]+ 339.07754 172.6
[M+H-H2O]+ 283.11164 163.4
[M+HCOO]- 345.11258 179.0
[M+CH3COO]- 359.12823 194.1
[M+Na-2H]- 321.08905 166.8
[M]+ 300.11383 169.4
[M]- 300.11493 169.4
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

No patent data available for this compound.