CID 5273516

Schembl4430756

Structural Information

Molecular Formula
C11H15N5O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NO)CO)O)O
InChI
InChI=1S/C11H15N5O5/c1-11(19)7(18)5(2-17)21-10(11)16-4-14-6-8(15-20)12-3-13-9(6)16/h3-5,7,10,17-20H,2H2,1H3,(H,12,13,15)/t5-,7-,10-,11-/m1/s1
InChIKey
LKTOBEVKANRCGI-YRKGHMEHSA-N
Compound name
(2R,3R,4R,5R)-2-[6-(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

297.10733 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 162.1
[M+Na]+ 320.09655 172.2
[M-H]- 296.10005 162.2
[M+NH4]+ 315.14115 174.7
[M+K]+ 336.07049 169.4
[M+H-H2O]+ 280.10459 155.2
[M+HCOO]- 342.10553 177.1
[M+CH3COO]- 356.12118 172.5
[M+Na-2H]- 318.08200 165.8
[M]+ 297.10678 163.6
[M]- 297.10788 163.6
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