CID 454604

D4c-mep

Structural Information

Molecular Formula
C10H14N3O5P
SMILES
CP(=O)(O)OC[C@@H]1C=C[C@@H](O1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H14N3O5P/c1-19(15,16)17-6-7-2-3-9(18-7)13-5-4-8(11)12-10(13)14/h2-5,7,9H,6H2,1H3,(H,15,16)(H2,11,12,14)/t7-,9+/m0/s1
InChIKey
SUTNQSIFXLSINU-IONNQARKSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.0671 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07438 161.5
[M+Na]+ 310.05632 169.2
[M-H]- 286.05982 164.0
[M+NH4]+ 305.10092 174.0
[M+K]+ 326.03026 168.5
[M+H-H2O]+ 270.06436 151.4
[M+HCOO]- 332.06530 186.4
[M+CH3COO]- 346.08095 197.7
[M+Na-2H]- 308.04177 163.1
[M]+ 287.06655 163.5
[M]- 287.06765 163.5
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.