CID 6338471

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

Structural Information

Molecular Formula
C14H20N2O6P
SMILES
CCCCO[P+](=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C14H19N2O6P/c1-3-4-7-20-23(19)21-9-11-5-6-12(22-11)16-8-10(2)13(17)15-14(16)18/h5-6,8,11-12H,3-4,7,9H2,1-2H3/p+1/t11-,12+/m0/s1
InChIKey
NWYYPYOEMNWKRJ-NWDGAFQWSA-O
Compound name
butoxy-[[(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

343.1059 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11318 176.6
[M+Na]+ 366.09512 183.7
[M-H]- 342.09862 179.5
[M+NH4]+ 361.13972 187.2
[M+K]+ 382.06906 176.9
[M+H-H2O]+ 326.10316 168.5
[M+HCOO]- 388.10410 200.4
[M+CH3COO]- 402.11975 200.6
[M+Na-2H]- 364.08057 177.2
[M]+ 343.10535 181.4
[M]- 343.10645 181.4
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.