CID 475907

[(2s,4r)-4-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]phosphonic acid

Structural Information

Molecular Formula
C8H12N3O5P
SMILES
C1[C@H](CO[C@H]1P(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H12N3O5P/c9-6-1-2-11(8(12)10-6)5-3-7(16-4-5)17(13,14)15/h1-2,5,7H,3-4H2,(H2,9,10,12)(H2,13,14,15)/t5-,7+/m1/s1
InChIKey
OMJVMMNFAZFUFP-VDTYLAMSSA-N
Compound name
[(2S,4R)-4-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.05145 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05873 154.3
[M+Na]+ 284.04067 161.5
[M-H]- 260.04417 155.4
[M+NH4]+ 279.08527 167.1
[M+K]+ 300.01461 160.5
[M+H-H2O]+ 244.04871 144.9
[M+HCOO]- 306.04965 176.9
[M+CH3COO]- 320.06530 189.8
[M+Na-2H]- 282.02612 155.6
[M]+ 261.05090 152.4
[M]- 261.05200 152.4
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.