CID 451905

C-6-cl-purinenucleoside-ara

Structural Information

Molecular Formula
C11H13ClN4O3
SMILES
C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C2N=CN=C3Cl)O)O)CO
InChI
InChI=1S/C11H13ClN4O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2/t5-,6-,8-,9-/m1/s1
InChIKey
GGJDZOWNXFYEEV-SQEXRHODSA-N
Compound name
(1R,2R,3R,5R)-3-(6-chloropurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

284.06763 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07491 161.3
[M+Na]+ 307.05685 172.7
[M-H]- 283.06035 161.3
[M+NH4]+ 302.10145 175.7
[M+K]+ 323.03079 166.9
[M+H-H2O]+ 267.06489 153.8
[M+HCOO]- 329.06583 172.5
[M+CH3COO]- 343.08148 172.0
[M+Na-2H]- 305.04230 161.7
[M]+ 284.06708 163.0
[M]- 284.06818 163.0
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

patents stripe