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

literature stripe

Patent stripe

patents stripe