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

5
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

patents stripe