CID 483931

2'-deoxy-5-(2-methoxy-ethyl)-4'-thiouridine

Structural Information

Molecular Formula
C12H18N2O5S
SMILES
COCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O
InChI
InChI=1S/C12H18N2O5S/c1-19-3-2-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)20-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
CXABUDHJCQJYBR-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(2-methoxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.09363 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10091 165.7
[M+Na]+ 325.08285 174.1
[M-H]- 301.08635 166.4
[M+NH4]+ 320.12745 178.8
[M+K]+ 341.05679 169.2
[M+H-H2O]+ 285.09089 159.1
[M+HCOO]- 347.09183 177.7
[M+CH3COO]- 361.10748 193.6
[M+Na-2H]- 323.06830 163.0
[M]+ 302.09308 167.6
[M]- 302.09418 167.6
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.