CID 451909

Carbocyclic-2',3'-oh-4'-nh2 ara-adenosine

Structural Information

Molecular Formula
C11H16N6O2
SMILES
C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CN
InChI
InChI=1S/C11H16N6O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,18-19H,1-2,12H2,(H2,13,14,15)/t5-,6-,8-,9-/m1/s1
InChIKey
GCYNLNCLHKMFHV-SQEXRHODSA-N
Compound name
(1R,2R,3R,5R)-3-(aminomethyl)-5-(6-aminopurin-9-yl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.13348 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 157.8
[M+Na]+ 287.12270 167.5
[M-H]- 263.12620 158.8
[M+NH4]+ 282.16730 171.9
[M+K]+ 303.09664 162.7
[M+H-H2O]+ 247.13074 149.6
[M+HCOO]- 309.13168 176.2
[M+CH3COO]- 323.14733 168.5
[M+Na-2H]- 285.10815 159.0
[M]+ 264.13293 155.2
[M]- 264.13403 155.2
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.