CID 124757

6-methoxypurine arabinoside

Structural Information

Molecular Formula
C11H14N4O5
SMILES
COC1=NC=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O5/c1-19-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8+,11-/m1/s1
InChIKey
UQQHOWKTDKKTHO-ICQCTTRCSA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

855
Patents

282.0964 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 160.1
[M+Na]+ 305.08562 170.6
[M-H]- 281.08912 161.1
[M+NH4]+ 300.13022 172.3
[M+K]+ 321.05956 168.2
[M+H-H2O]+ 265.09366 152.6
[M+HCOO]- 327.09460 175.5
[M+CH3COO]- 341.11025 171.2
[M+Na-2H]- 303.07107 161.7
[M]+ 282.09585 163.5
[M]- 282.09695 163.5
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.