CID 135524536

Chembl62896

Structural Information

Molecular Formula
C10H16N5O5P
SMILES
CCOP(=O)(COCCN1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C10H16N5O5P/c1-2-20-21(17,18)6-19-4-3-15-5-12-7-8(15)13-10(11)14-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H3,11,13,14,16)
InChIKey
PERFIQYTXCWMBE-UHFFFAOYSA-N
Compound name
2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

317.0889 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09618 169.8
[M+Na]+ 340.07812 178.5
[M-H]- 316.08162 165.9
[M+NH4]+ 335.12272 180.2
[M+K]+ 356.05206 175.7
[M+H-H2O]+ 300.08616 159.2
[M+HCOO]- 362.08710 192.3
[M+CH3COO]- 376.10275 202.4
[M+Na-2H]- 338.06357 172.7
[M]+ 317.08835 174.2
[M]- 317.08945 174.2
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.