CID 49835951

8-oxo-dadp

Structural Information

Molecular Formula
C10H15N5O10P2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3NC2=O)N)COP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H15N5O10P2/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,5+,6+/m0/s1
InChIKey
FEPFWQCDWZFLGY-KVQBGUIXSA-N
Compound name
[(2R,3S,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

427.02942 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.03670 184.5
[M+Na]+ 450.01864 187.4
[M+NH4]+ 445.06324 182.4
[M+K]+ 465.99258 196.6
[M-H]- 426.02214 178.7
[M+Na-2H]- 448.00409 180.8
[M]+ 427.02887 182.0
[M]- 427.02997 182.0
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.