CID 452559

5'-dietpo4-3'-acot

Structural Information

Molecular Formula
C16H25N2O9P
SMILES
CCOP(=O)(OCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC(=O)C
InChI
InChI=1S/C16H25N2O9P/c1-5-23-28(22,24-6-2)25-9-13-12(26-11(4)19)7-14(27-13)18-8-10(3)15(20)17-16(18)21/h8,12-14H,5-7,9H2,1-4H3,(H,17,20,21)/t12-,13+,14+/m0/s1
InChIKey
PILXFCZJQBWYJT-BFHYXJOUSA-N
Compound name
[(2R,3S,5R)-2-(diethoxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.12976 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13704 189.4
[M+Na]+ 443.11898 195.4
[M-H]- 419.12248 192.0
[M+NH4]+ 438.16358 197.0
[M+K]+ 459.09292 196.4
[M+H-H2O]+ 403.12702 179.2
[M+HCOO]- 465.12796 210.5
[M+CH3COO]- 479.14361 222.0
[M+Na-2H]- 441.10443 187.2
[M]+ 420.12921 198.4
[M]- 420.13031 198.4
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.