CID 25200440

9-[6(s),9-diamino-5,6,7,8,9-pentadeoxy-beta-d-ribo-nonafuranosyl]-9h-purin-6-amine

Structural Information

Molecular Formula
C14H23N7O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CC(CCCN)N)O)O)N
InChI
InChI=1S/C14H23N7O3/c15-3-1-2-7(16)4-8-10(22)11(23)14(24-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,1-4,15-16H2,(H2,17,18,19)/t7?,8-,10-,11-,14-/m1/s1
InChIKey
IRPVYKULMDQOJU-HVMNINKTSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2,5-diaminopentyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18625 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19353 177.6
[M+Na]+ 360.17547 184.2
[M+NH4]+ 355.22007 180.8
[M+K]+ 376.14941 186.7
[M-H]- 336.17897 178.8
[M+Na-2H]- 358.16092 177.6
[M]+ 337.18570 178.1
[M]- 337.18680 178.1
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.