CID 6338473

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

Structural Information

Molecular Formula
C15H22N2O6P
SMILES
CCCCCO[P+](=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C15H21N2O6P/c1-3-4-5-8-21-24(20)22-10-12-6-7-13(23-12)17-9-11(2)14(18)16-15(17)19/h6-7,9,12-13H,3-5,8,10H2,1-2H3/p+1/t12-,13+/m0/s1
InChIKey
STUPBVPDMUJWEB-QWHCGFSZSA-O
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-oxo-pentoxyphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.12155 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12883 181.4
[M+Na]+ 380.11077 188.0
[M-H]- 356.11427 184.1
[M+NH4]+ 375.15537 191.4
[M+K]+ 396.08471 181.1
[M+H-H2O]+ 340.11881 173.1
[M+HCOO]- 402.11975 204.9
[M+CH3COO]- 416.13540 203.6
[M+Na-2H]- 378.09622 181.4
[M]+ 357.12100 186.5
[M]- 357.12210 186.5
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.