CID 452278

4'-thio-3'-deoxythymidine

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](S2)CO
InChI
InChI=1S/C10H14N2O3S/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
InChIKey
AWQMUZPJUKKIPU-JGVFFNPUSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.07251 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 151.4
[M+Na]+ 265.06173 161.1
[M-H]- 241.06523 153.7
[M+NH4]+ 260.10633 167.8
[M+K]+ 281.03567 156.2
[M+H-H2O]+ 225.06977 145.1
[M+HCOO]- 287.07071 165.3
[M+CH3COO]- 301.08636 184.1
[M+Na-2H]- 263.04718 150.2
[M]+ 242.07196 151.2
[M]- 242.07306 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.