CID 483921

2'-deoxy-5-isopropyl-4'-thiouridine

Structural Information

Molecular Formula
C12H18N2O4S
SMILES
CC(C)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O
InChI
InChI=1S/C12H18N2O4S/c1-6(2)7-4-14(12(18)13-11(7)17)10-3-8(16)9(5-15)19-10/h4,6,8-10,15-16H,3,5H2,1-2H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
SPOAVKIVMOYLQL-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.09872 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10600 163.1
[M+Na]+ 309.08794 171.5
[M-H]- 285.09144 164.0
[M+NH4]+ 304.13254 177.0
[M+K]+ 325.06188 166.6
[M+H-H2O]+ 269.09598 157.0
[M+HCOO]- 331.09692 173.9
[M+CH3COO]- 345.11257 192.3
[M+Na-2H]- 307.07339 159.1
[M]+ 286.09817 163.0
[M]- 286.09927 163.0
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.