CID 3011158

D-arabinopyranoside, 7h-purin-6-yl

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1[C@H]([C@H]([C@@H](C(O1)OC2=NC=NC3=C2NC=N3)O)O)O
InChI
InChI=1S/C10H12N4O5/c15-4-1-18-10(7(17)6(4)16)19-9-5-8(12-2-11-5)13-3-14-9/h2-4,6-7,10,15-17H,1H2,(H,11,12,13,14)/t4-,6-,7+,10?/m1/s1
InChIKey
LUBMEOKJNIDUNV-KBNQYOMWSA-N
Compound name
(3S,4R,5R)-2-(7H-purin-6-yloxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08078 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 156.9
[M+Na]+ 291.07000 165.8
[M-H]- 267.07350 155.6
[M+NH4]+ 286.11460 166.7
[M+K]+ 307.04394 162.5
[M+H-H2O]+ 251.07804 148.4
[M+HCOO]- 313.07898 168.8
[M+CH3COO]- 327.09463 166.5
[M+Na-2H]- 289.05545 161.1
[M]+ 268.08023 155.5
[M]- 268.08133 155.5
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.