CID 511268

10-hydroxydecyl [(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phenyl phosphate

Structural Information

Molecular Formula
C26H37N2O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(OCCCCCCCCCCO)OC3=CC=CC=C3
InChI
InChI=1S/C26H37N2O8P/c1-21-19-28(26(31)27-25(21)30)24-16-15-23(35-24)20-34-37(32,36-22-13-9-8-10-14-22)33-18-12-7-5-3-2-4-6-11-17-29/h8-10,13-16,19,23-24,29H,2-7,11-12,17-18,20H2,1H3,(H,27,30,31)/t23-,24+,37?/m0/s1
InChIKey
YYWIKGHQEJXQDO-MLLZSBQBSA-N
Compound name
10-hydroxydecyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.22876 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.23604 228.3
[M+Na]+ 559.21798 230.3
[M-H]- 535.22148 231.2
[M+NH4]+ 554.26258 229.5
[M+K]+ 575.19192 227.7
[M+H-H2O]+ 519.22602 214.7
[M+HCOO]- 581.22696 247.4
[M+CH3COO]- 595.24261 241.5
[M+Na-2H]- 557.20343 224.4
[M]+ 536.22821 236.3
[M]- 536.22931 236.3
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.