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]+ 284.09895 160.4
[M+Na]+ 306.08089 171.0
[M-H]- 282.08439 160.8
[M+NH4]+ 301.12549 171.8
[M+K]+ 322.05483 167.5
[M+H-H2O]+ 266.08893 153.3
[M+HCOO]- 328.08987 175.8
[M+CH3COO]- 342.10552 171.0
[M+Na-2H]- 304.06634 162.1
[M]+ 283.09112 160.8
[M]- 283.09222 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.