CID 6338467

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

Structural Information

Molecular Formula
C16H24N2O6P
SMILES
CCCCCCO[P+](=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C16H23N2O6P/c1-3-4-5-6-9-22-25(21)23-11-13-7-8-14(24-13)18-10-12(2)15(19)17-16(18)20/h7-8,10,13-14H,3-6,9,11H2,1-2H3/p+1/t13-,14+/m0/s1
InChIKey
KGKBYZOPLCIFGW-UONOGXRCSA-O
Compound name
hexoxy-[[(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

371.1372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14448 186.2
[M+Na]+ 394.12642 192.3
[M-H]- 370.12992 188.7
[M+NH4]+ 389.17102 195.6
[M+K]+ 410.10036 185.2
[M+H-H2O]+ 354.13446 177.7
[M+HCOO]- 416.13540 209.3
[M+CH3COO]- 430.15105 206.6
[M+Na-2H]- 392.11187 185.7
[M]+ 371.13665 191.6
[M]- 371.13775 191.6
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.