CID 451908

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

Structural Information

Molecular Formula
C11H14ClN5O2
SMILES
C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CCl
InChI
InChI=1S/C11H14ClN5O2/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,1-2H2,(H2,13,14,15)/t5-,6-,8-,9-/m1/s1
InChIKey
JZYJVPNLJIRPGP-SQEXRHODSA-N
Compound name
(1R,2R,3R,5S)-3-(6-aminopurin-9-yl)-5-(chloromethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0836 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09088 162.3
[M+Na]+ 306.07282 173.4
[M-H]- 282.07632 163.1
[M+NH4]+ 301.11742 176.9
[M+K]+ 322.04676 167.4
[M+H-H2O]+ 266.08086 154.3
[M+HCOO]- 328.08180 175.3
[M+CH3COO]- 342.09745 173.1
[M+Na-2H]- 304.05827 162.7
[M]+ 283.08305 162.8
[M]- 283.08415 162.8
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.