CID 6338474

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

Structural Information

Molecular Formula
C13H18N2O6P
SMILES
CCCO[P+](=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C13H17N2O6P/c1-3-6-19-22(18)20-8-10-4-5-11(21-10)15-7-9(2)12(16)14-13(15)17/h4-5,7,10-11H,3,6,8H2,1-2H3/p+1/t10-,11+/m0/s1
InChIKey
GNZQWYLWQFFZRE-WDEREUQCSA-O
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-oxo-propoxyphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.09024 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09752 171.8
[M+Na]+ 352.07946 179.3
[M-H]- 328.08296 174.9
[M+NH4]+ 347.12406 182.9
[M+K]+ 368.05340 172.8
[M+H-H2O]+ 312.08750 163.9
[M+HCOO]- 374.08844 196.0
[M+CH3COO]- 388.10409 197.7
[M+Na-2H]- 350.06491 172.9
[M]+ 329.08969 176.2
[M]- 329.09079 176.2
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.