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
1
Annotation Hits

13
References

944
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

literature stripe

Patent stripe

patents stripe