CID 451922

Carbocyclic-6-chloro ara-guanosine

Structural Information

Molecular Formula
C11H14ClN5O3
SMILES
C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C2N=C(N=C3Cl)N)O)O)CO
InChI
InChI=1S/C11H14ClN5O3/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,(H2,13,15,16)/t4-,5-,7-,8-/m1/s1
InChIKey
YPNCGBSKCXEJKT-SJNFNFGESA-N
Compound name
(1R,2R,3R,5R)-3-(2-amino-6-chloropurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

299.07852 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08580 165.5
[M+Na]+ 322.06774 176.8
[M-H]- 298.07124 165.5
[M+NH4]+ 317.11234 179.0
[M+K]+ 338.04168 170.7
[M+H-H2O]+ 282.07578 158.2
[M+HCOO]- 344.07672 177.2
[M+CH3COO]- 358.09237 175.8
[M+Na-2H]- 320.05319 165.0
[M]+ 299.07797 166.1
[M]- 299.07907 166.1
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.