CID 135440064

88847-89-6

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=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/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1
InChIKey
HCAJQHYUCKICQH-VPENINKCSA-N
Compound name
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

5976
References

16061
Patents

283.09167 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 160.8
[M+Na]+ 306.08089 171.6
[M-H]- 282.08439 160.7
[M+NH4]+ 301.12549 171.8
[M+K]+ 322.05483 167.2
[M+H-H2O]+ 266.08893 153.7
[M+HCOO]- 328.08987 175.6
[M+CH3COO]- 342.10552 171.0
[M+Na-2H]- 304.06634 161.4
[M]+ 283.09112 159.5
[M]- 283.09222 159.5
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.