CID 475904

[4(r)-(6-amino-9h-purin-9-yl)]tetrahydrofuran-2(s)-ylphosphonate

Structural Information

Molecular Formula
C9H12N5O4P
SMILES
C1[C@H](CO[C@H]1P(=O)(O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H12N5O4P/c10-8-7-9(12-3-11-8)14(4-13-7)5-1-6(18-2-5)19(15,16)17/h3-6H,1-2H2,(H2,10,11,12)(H2,15,16,17)/t5-,6+/m1/s1
InChIKey
FWYAOGAXKDIZGF-RITPCOANSA-N
Compound name
[(2S,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.06268 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.069956 160.4
[M+Na]+ 308.051898 168.6
[M-H]- 284.055404 160.6
[M+NH4]+ 303.096503 172.2
[M+K]+ 324.025838 167.2
[M+H-H2O]+ 268.059940 150.3
[M+HCOO]- 330.060881 181.4
[M+CH3COO]- 344.076531 194.9
[M+Na-2H]- 306.037346 161.6
[M]+ 285.06213142 159.9
[M]- 285.06322858 159.9
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.