CID 497667

Pmema

Structural Information

Molecular Formula
C9H14N5O5P
SMILES
CC(OCN1C=NC2=CN=C(N=C21)N)OCP(=O)(O)O
InChI
InChI=1S/C9H14N5O5P/c1-6(19-5-20(15,16)17)18-4-14-3-12-7-2-11-9(10)13-8(7)14/h2-3,6H,4-5H2,1H3,(H2,10,11,13)(H2,15,16,17)
InChIKey
OFAVHFBMDUGVGR-UHFFFAOYSA-N
Compound name
1-[(2-aminopurin-9-yl)methoxy]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

303.07324 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08052 165.0
[M+Na]+ 326.06246 172.7
[M-H]- 302.06596 161.0
[M+NH4]+ 321.10706 175.7
[M+K]+ 342.03640 171.3
[M+H-H2O]+ 286.07050 154.4
[M+HCOO]- 348.07144 186.8
[M+CH3COO]- 362.08709 199.7
[M+Na-2H]- 324.04791 168.2
[M]+ 303.07269 168.8
[M]- 303.07379 168.8
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

patents stripe