CID 483933

2'-deoxy-5-methoxymethyl-4'-thiouridine

Structural Information

Molecular Formula
C11H16N2O5S
SMILES
COCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O
InChI
InChI=1S/C11H16N2O5S/c1-18-5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
COJTYIQNEVYMHF-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.078 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08528 161.4
[M+Na]+ 311.06722 170.3
[M-H]- 287.07072 162.4
[M+NH4]+ 306.11182 175.2
[M+K]+ 327.04116 165.7
[M+H-H2O]+ 271.07526 155.1
[M+HCOO]- 333.07620 173.8
[M+CH3COO]- 347.09185 190.7
[M+Na-2H]- 309.05267 159.2
[M]+ 288.07745 163.0
[M]- 288.07855 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.