CID 3005946

2'-deoxy-5-propyl-2-thiouridine

Structural Information

Molecular Formula
C12H18N2O4S
SMILES
CCCC1=CN(C(=S)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H18N2O4S/c1-2-3-7-5-14(12(19)13-11(7)17)10-4-8(16)9(6-15)18-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,19)/t8-,9+,10+/m0/s1
InChIKey
FYLFCLKWACCKFI-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-propyl-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.09872 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10600 163.7
[M+Na]+ 309.08794 172.7
[M-H]- 285.09144 165.2
[M+NH4]+ 304.13254 176.4
[M+K]+ 325.06188 168.0
[M+H-H2O]+ 269.09598 157.4
[M+HCOO]- 331.09692 174.8
[M+CH3COO]- 345.11257 191.5
[M+Na-2H]- 307.07339 161.3
[M]+ 286.09817 164.7
[M]- 286.09927 164.7
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.