CID 451924

Carbocyclic-2,6-diaminopurinenucleoside

Structural Information

Molecular Formula
C11H16N6O3
SMILES
C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C(N=C(N=C32)N)N)O)O)CO
InChI
InChI=1S/C11H16N6O3/c12-9-6-10(16-11(13)15-9)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H4,12,13,15,16)/t4-,5-,7-,8-/m1/s1
InChIKey
ZLJQBJBJBIATTP-SJNFNFGESA-N
Compound name
(1R,2R,3R,5R)-3-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

280.1284 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13568 161.6
[M+Na]+ 303.11762 171.4
[M-H]- 279.12112 161.7
[M+NH4]+ 298.16222 174.5
[M+K]+ 319.09156 166.6
[M+H-H2O]+ 263.12566 153.9
[M+HCOO]- 325.12660 178.5
[M+CH3COO]- 339.14225 171.7
[M+Na-2H]- 301.10307 161.7
[M]+ 280.12785 159.0
[M]- 280.12895 159.0
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.