CID 475501

(3r,3ar,5r,6ar)-5-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

Structural Information

Molecular Formula
C11H13N5O3
SMILES
C1[C@@H]2[C@@H]([C@@H](CO2)O)O[C@H]1N3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C11H13N5O3/c12-10-8-11(14-3-13-10)16(4-15-8)7-1-6-9(19-7)5(17)2-18-6/h3-7,9,17H,1-2H2,(H2,12,13,14)/t5-,6-,7-,9-/m1/s1
InChIKey
GNRLACQFKIQXEE-JXOAFFINSA-N
Compound name
(3R,3aR,5R,6aR)-5-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.10184 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 154.2
[M+Na]+ 286.09106 164.5
[M-H]- 262.09456 158.8
[M+NH4]+ 281.13566 169.2
[M+K]+ 302.06500 163.2
[M+H-H2O]+ 246.09910 147.4
[M+HCOO]- 308.10004 171.0
[M+CH3COO]- 322.11569 166.2
[M+Na-2H]- 284.07651 155.6
[M]+ 263.10129 155.5
[M]- 263.10239 155.5
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.