CID 3005524

Chembl275871

Structural Information

Molecular Formula
C9H16N3O6P
SMILES
CC(C(CP(=O)(O)O)OCN1C=CC(=NC1=O)N)O
InChI
InChI=1S/C9H16N3O6P/c1-6(13)7(4-19(15,16)17)18-5-12-3-2-8(10)11-9(12)14/h2-3,6-7,13H,4-5H2,1H3,(H2,10,11,14)(H2,15,16,17)
InChIKey
KEMJYNBKLCTZHG-UHFFFAOYSA-N
Compound name
[2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3-hydroxybutyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.07767 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08495 163.8
[M+Na]+ 316.06689 169.5
[M-H]- 292.07039 159.5
[M+NH4]+ 311.11149 174.1
[M+K]+ 332.04083 168.4
[M+H-H2O]+ 276.07493 154.3
[M+HCOO]- 338.07587 184.5
[M+CH3COO]- 352.09152 196.9
[M+Na-2H]- 314.05234 163.7
[M]+ 293.07712 164.4
[M]- 293.07822 164.4
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.