CID 454929

D4c 5'-opo2h2(ph)

Structural Information

Molecular Formula
C15H16N3O5P
SMILES
C1=CC=C(C=C1)P(=O)(O)OC[C@@H]2C=C[C@@H](O2)N3C=CC(=NC3=O)N
InChI
InChI=1S/C15H16N3O5P/c16-13-8-9-18(15(19)17-13)14-7-6-11(23-14)10-22-24(20,21)12-4-2-1-3-5-12/h1-9,11,14H,10H2,(H,20,21)(H2,16,17,19)/t11-,14+/m0/s1
InChIKey
FRGKTZGGBKZCKW-SMDDNHRTSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.08276 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09004 177.4
[M+Na]+ 372.07198 184.0
[M-H]- 348.07548 182.8
[M+NH4]+ 367.11658 186.7
[M+K]+ 388.04592 181.9
[M+H-H2O]+ 332.08002 165.6
[M+HCOO]- 394.08096 201.8
[M+CH3COO]- 408.09661 208.9
[M+Na-2H]- 370.05743 178.5
[M]+ 349.08221 178.3
[M]- 349.08331 178.3
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.