CID 6338469

2',3'-didehydro-3'-deoxythymidine, 5'-ethyl phosphonate

Structural Information

Molecular Formula
C12H16N2O6P
SMILES
CCO[P+](=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C12H15N2O6P/c1-3-18-21(17)19-7-9-4-5-10(20-9)14-6-8(2)11(15)13-12(14)16/h4-6,9-10H,3,7H2,1-2H3/p+1/t9-,10+/m0/s1
InChIKey
FZXAZUGDWSWNTD-VHSXEESVSA-O
Compound name
ethoxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0746 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08188 166.9
[M+Na]+ 338.06382 174.9
[M-H]- 314.06732 170.2
[M+NH4]+ 333.10842 178.7
[M+K]+ 354.03776 168.6
[M+H-H2O]+ 298.07186 159.3
[M+HCOO]- 360.07280 191.5
[M+CH3COO]- 374.08845 194.7
[M+Na-2H]- 336.04927 168.5
[M]+ 315.07405 171.0
[M]- 315.07515 171.0
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.