CID 5270503

Adenosine-n'-oxide, 7-deaza-

Structural Information

Molecular Formula
C11H14N4O5
SMILES
C1=CN(C2=C1C(=N)N(C=N2)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O5/c12-9-5-1-2-14(10(5)13-4-15(9)19)11-8(18)7(17)6(3-16)20-11/h1-2,4,6-8,11-12,16-19H,3H2/t6-,7-,8-,11-/m1/s1
InChIKey
CRTDKRSLHMTRAU-KCGFPETGSA-N
Compound name
(2R,3R,4S,5R)-2-(3-hydroxy-4-iminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0964 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 159.7
[M+Na]+ 305.08562 169.9
[M-H]- 281.08912 161.2
[M+NH4]+ 300.13022 172.5
[M+K]+ 321.05956 166.4
[M+H-H2O]+ 265.09366 153.2
[M+HCOO]- 327.09460 176.1
[M+CH3COO]- 341.11025 170.7
[M+Na-2H]- 303.07107 161.3
[M]+ 282.09585 160.0
[M]- 282.09695 160.0
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.