CID 6338470

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

Structural Information

Molecular Formula
C20H32N2O6P
SMILES
CCCCCCCCCCO[P+](=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C20H31N2O6P/c1-3-4-5-6-7-8-9-10-13-26-29(25)27-15-17-11-12-18(28-17)22-14-16(2)19(23)21-20(22)24/h11-12,14,17-18H,3-10,13,15H2,1-2H3/p+1/t17-,18+/m0/s1
InChIKey
GOHPAUFZUZYCQC-ZWKOTPCHSA-O
Compound name
decoxy-[[(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

427.1998 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20708 205.1
[M+Na]+ 450.18902 209.4
[M-H]- 426.19252 206.9
[M+NH4]+ 445.23362 212.1
[M+K]+ 466.16296 201.4
[M+H-H2O]+ 410.19706 195.8
[M+HCOO]- 472.19800 226.8
[M+CH3COO]- 486.21365 218.4
[M+Na-2H]- 448.17447 202.5
[M]+ 427.19925 211.8
[M]- 427.20035 211.8
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.