CID 105016

Dtxsid601000605

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1[C@@H]([C@H](OC1N2C(N=C3C2=NC(=NC3=O)N)O)CO)O
InChI
InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,10,16-17,19H,1-2H2,(H2,11,14,18)/t3-,4+,5?,10?/m0/s1
InChIKey
CSFDEODRLMJPFZ-RBAIJXOFSA-N
Compound name
2-amino-8-hydroxy-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

283.09167 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.098946 162.3
[M+Na]+ 306.080888 171.4
[M-H]- 282.084394 162.6
[M+NH4]+ 301.125493 173.7
[M+K]+ 322.054828 168.7
[M+H-H2O]+ 266.088930 155.0
[M+HCOO]- 328.089871 175.6
[M+CH3COO]- 342.105521 195.6
[M+Na-2H]- 304.066336 161.6
[M]+ 283.09112142 160.7
[M]- 283.09221858 160.7
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.