CID 11046252

8-oxo-damp

Structural Information

Molecular Formula
C10H14N5O7P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3NC2=O)N)COP(=O)(O)O)O
InChI
InChI=1S/C10H14N5O7P/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H2,11,12,13)(H2,18,19,20)/t4-,5+,6+/m0/s1
InChIKey
QFGWDFAYOAGQDH-KVQBGUIXSA-N
Compound name
[(2R,3S,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

347.06308 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07036 172.4
[M+Na]+ 370.05230 178.8
[M+NH4]+ 365.09690 173.3
[M+K]+ 386.02624 184.4
[M-H]- 346.05580 169.4
[M+Na-2H]- 368.03775 171.1
[M]+ 347.06253 171.5
[M]- 347.06363 171.5
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