CID 99529

Uridine, 2'-deoxy-5-mercapto-

Structural Information

Molecular Formula
C9H12N2O5S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)S)CO)O
InChI
InChI=1S/C9H12N2O5S/c12-3-5-4(13)1-7(16-5)11-2-6(17)8(14)10-9(11)15/h2,4-5,7,12-13,17H,1,3H2,(H,10,14,15)/t4-,5+,7+/m0/s1
InChIKey
NYTIUBZWEKOZRY-HBPOCXIASA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

260.0467 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05398 153.4
[M+Na]+ 283.03592 163.4
[M-H]- 259.03942 155.4
[M+NH4]+ 278.08052 167.0
[M+K]+ 299.00986 159.9
[M+H-H2O]+ 243.04396 147.5
[M+HCOO]- 305.04490 165.6
[M+CH3COO]- 319.06055 184.9
[M+Na-2H]- 281.02137 152.6
[M]+ 260.04615 154.8
[M]- 260.04725 154.8
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

patents stripe