CID 6482564

Schembl6378465

Structural Information

Molecular Formula
C11H16N6O4
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NN)CO)O)O
InChI
InChI=1S/C11H16N6O4/c1-11(20)7(19)5(2-18)21-10(11)17-4-15-6-8(16-12)13-3-14-9(6)17/h3-5,7,10,18-20H,2,12H2,1H3,(H,13,14,16)/t5-,7-,10-,11-/m1/s1
InChIKey
MFCTWYOTMUTRBV-YRKGHMEHSA-N
Compound name
(2R,3R,4R,5R)-2-(6-hydrazinylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

296.1233 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13058 162.3
[M+Na]+ 319.11252 172.2
[M-H]- 295.11602 163.3
[M+NH4]+ 314.15712 175.2
[M+K]+ 335.08646 169.2
[M+H-H2O]+ 279.12056 154.9
[M+HCOO]- 341.12150 179.1
[M+CH3COO]- 355.13715 172.8
[M+Na-2H]- 317.09797 166.1
[M]+ 296.12275 162.6
[M]- 296.12385 162.6
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.