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]+ 286.06996 160.4
[M+Na]+ 308.05190 168.6
[M-H]- 284.05540 160.6
[M+NH4]+ 303.09650 172.2
[M+K]+ 324.02584 167.2
[M+H-H2O]+ 268.05994 150.3
[M+HCOO]- 330.06088 181.4
[M+CH3COO]- 344.07653 194.9
[M+Na-2H]- 306.03735 161.6
[M]+ 285.06213 159.9
[M]- 285.06323 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.