CID 459896

Adenosine-n-oxide

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN(C2=N)O
InChI
InChI=1S/C10H13N5O5/c11-8-5-9(13-3-15(8)19)14(2-12-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10-11,16-19H,1H2/t4-,6-,7-,10-/m1/s1
InChIKey
QHFLZHVITNUFMV-KQYNXXCUSA-N
Compound name
(2R,3R,4S,5R)-2-(1-hydroxy-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

149
Patents

283.09167 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.098946 160.4
[M+Na]+ 306.080888 171.0
[M-H]- 282.084394 160.8
[M+NH4]+ 301.125493 171.8
[M+K]+ 322.054828 167.5
[M+H-H2O]+ 266.088930 153.3
[M+HCOO]- 328.089871 175.8
[M+CH3COO]- 342.105521 171.0
[M+Na-2H]- 304.066336 162.1
[M]+ 283.09112142 160.8
[M]- 283.09221858 160.8
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

patents stripe