CID 454932

D4c 5'-opo3h2(ph)

Structural Information

Molecular Formula
C15H16N3O6P
SMILES
C1=CC=C(C=C1)OP(=O)(O)OC[C@@H]2C=C[C@@H](O2)N3C=CC(=NC3=O)N
InChI
InChI=1S/C15H16N3O6P/c16-13-8-9-18(15(19)17-13)14-7-6-12(23-14)10-22-25(20,21)24-11-4-2-1-3-5-11/h1-9,12,14H,10H2,(H,20,21)(H2,16,17,19)/t12-,14+/m0/s1
InChIKey
PDRCIKGNMFQRNU-GXTWGEPZSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.07767 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.08495 179.0
[M+Na]+ 388.06689 185.2
[M-H]- 364.07039 184.4
[M+NH4]+ 383.11149 187.5
[M+K]+ 404.04083 184.0
[M+H-H2O]+ 348.07493 167.0
[M+HCOO]- 410.07587 203.5
[M+CH3COO]- 424.09152 211.3
[M+Na-2H]- 386.05234 180.5
[M]+ 365.07712 181.2
[M]- 365.07822 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.