CID 453795

Chembl420843

Structural Information

Molecular Formula
C10H12N5O5P
SMILES
C1=C[C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)OCP(=O)(O)O
InChI
InChI=1S/C10H12N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)6-1-2-7(20-6)19-5-21(16,17)18/h1-4,6-7H,5H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m1/s1
InChIKey
BCRLPQARMLGSRS-RQJHMYQMSA-N
Compound name
[(2R,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

313.05762 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06490 165.2
[M+Na]+ 336.04684 173.6
[M-H]- 312.05034 165.8
[M+NH4]+ 331.09144 175.9
[M+K]+ 352.02078 172.6
[M+H-H2O]+ 296.05488 154.8
[M+HCOO]- 358.05582 187.4
[M+CH3COO]- 372.07147 199.9
[M+Na-2H]- 334.03229 167.3
[M]+ 313.05707 167.7
[M]- 313.05817 167.7
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.