CID 451932

(s)-hpmpt

Structural Information

Molecular Formula
C9H15N2O7P
SMILES
CC1=CN(C(=O)NC1=O)C[C@@H](CO)OCP(=O)(O)O
InChI
InChI=1S/C9H15N2O7P/c1-6-2-11(9(14)10-8(6)13)3-7(4-12)18-5-19(15,16)17/h2,7,12H,3-5H2,1H3,(H,10,13,14)(H2,15,16,17)/t7-/m0/s1
InChIKey
NXSCESRMUVPASQ-ZETCQYMHSA-N
Compound name
[(2S)-1-hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

294.06168 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06896 162.0
[M+Na]+ 317.05090 169.3
[M-H]- 293.05440 157.1
[M+NH4]+ 312.09550 172.4
[M+K]+ 333.02484 167.2
[M+H-H2O]+ 277.05894 153.0
[M+HCOO]- 339.05988 182.0
[M+CH3COO]- 353.07553 191.7
[M+Na-2H]- 315.03635 162.6
[M]+ 294.06113 164.3
[M]- 294.06223 164.3
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.