CID 3005523

Chembl14254

Structural Information

Molecular Formula
C9H15N2O7P
SMILES
CC(C(CP(=O)(O)O)OCN1C=CC(=O)NC1=O)O
InChI
InChI=1S/C9H15N2O7P/c1-6(12)7(4-19(15,16)17)18-5-11-3-2-8(13)10-9(11)14/h2-3,6-7,12H,4-5H2,1H3,(H,10,13,14)(H2,15,16,17)
InChIKey
XQUPARGRIIVVEG-UHFFFAOYSA-N
Compound name
[2-[(2,4-dioxopyrimidin-1-yl)methoxy]-3-hydroxybutyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.06168 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06896 161.6
[M+Na]+ 317.05090 167.8
[M-H]- 293.05440 156.4
[M+NH4]+ 312.09550 171.7
[M+K]+ 333.02484 166.3
[M+H-H2O]+ 277.05894 152.6
[M+HCOO]- 339.05988 180.8
[M+CH3COO]- 353.07553 191.3
[M+Na-2H]- 315.03635 161.8
[M]+ 294.06113 162.9
[M]- 294.06223 162.9
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.