CID 472247

Chembl64241

Structural Information

Molecular Formula
C10H17N6O4P
SMILES
CCOP(=O)(COCCN1C=NC2=C(N=C(N=C21)N)N)O
InChI
InChI=1S/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)
InChIKey
LLSGNYUJSJIMGE-UHFFFAOYSA-N
Compound name
2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.1049 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11218 170.1
[M+Na]+ 339.09412 178.3
[M-H]- 315.09762 167.2
[M+NH4]+ 334.13872 180.9
[M+K]+ 355.06806 176.1
[M+H-H2O]+ 299.10216 159.1
[M+HCOO]- 361.10310 194.3
[M+CH3COO]- 375.11875 207.9
[M+Na-2H]- 337.07957 173.2
[M]+ 316.10435 174.0
[M]- 316.10545 174.0
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

No patent data available for this compound.