CID 135409497

Chembl118464

Structural Information

Molecular Formula
C10H14N5O5P
SMILES
C1C[C@H](O[C@H]1CN2C=NC3=C2N=C(NC3=O)N)P(=O)(O)O
InChI
InChI=1S/C10H14N5O5P/c11-10-13-8-7(9(16)14-10)12-4-15(8)3-5-1-2-6(20-5)21(17,18)19/h4-6H,1-3H2,(H2,17,18,19)(H3,11,13,14,16)/t5-,6-/m1/s1
InChIKey
WMVVWDCCZZNNEX-PHDIDXHHSA-N
Compound name
[(2R,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]oxolan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

315.07324 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08052 168.1
[M+Na]+ 338.06246 176.2
[M-H]- 314.06596 167.3
[M+NH4]+ 333.10706 178.2
[M+K]+ 354.03640 173.9
[M+H-H2O]+ 298.07050 158.3
[M+HCOO]- 360.07144 187.5
[M+CH3COO]- 374.08709 198.9
[M+Na-2H]- 336.04791 168.0
[M]+ 315.07269 167.2
[M]- 315.07379 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.