CID 513600

Schembl2556635

Structural Information

Molecular Formula
C10H16N5O5P
SMILES
COCC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
InChI
InChI=1S/C10H16N5O5P/c1-19-3-7(20-6-21(16,17)18)2-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13)(H2,16,17,18)
InChIKey
SIDAGBAGFJEYFG-UHFFFAOYSA-N
Compound name
[1-(6-aminopurin-9-yl)-3-methoxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

317.0889 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09618 169.4
[M+Na]+ 340.07812 176.7
[M-H]- 316.08162 165.4
[M+NH4]+ 335.12272 179.6
[M+K]+ 356.05206 175.2
[M+H-H2O]+ 300.08616 158.7
[M+HCOO]- 362.08710 191.0
[M+CH3COO]- 376.10275 202.7
[M+Na-2H]- 338.06357 172.2
[M]+ 317.08835 173.6
[M]- 317.08945 173.6
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.