CID 15954439

2,6-diamino-8-azapurine ribofuranoside

Structural Information

Molecular Formula
C9H13N7O4
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(N=C(N=C3N=N2)N)N)O)O)O
InChI
InChI=1S/C9H13N7O4/c10-6-3-7(13-9(11)12-6)14-15-16(3)8-5(19)4(18)2(1-17)20-8/h2,4-5,8,17-19H,1H2,(H4,10,11,12,13)/t2-,4-,5-,8-/m1/s1
InChIKey
ZBPCUFFVAWIZTM-UMMCILCDSA-N
Compound name
(2R,3R,4S,5R)-2-(5,7-diaminotriazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.1029 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11018 162.0
[M+Na]+ 306.09212 172.6
[M-H]- 282.09562 161.9
[M+NH4]+ 301.13672 172.0
[M+K]+ 322.06606 169.2
[M+H-H2O]+ 266.10016 153.9
[M+HCOO]- 328.10110 177.4
[M+CH3COO]- 342.11675 172.0
[M+Na-2H]- 304.07757 163.1
[M]+ 283.10235 161.2
[M]- 283.10345 161.2
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

No patent data available for this compound.