CID 5273490

565435-19-0

Structural Information

Molecular Formula
C13H19N5O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N(C)OC)CO)O)O
InChI
InChI=1S/C13H19N5O5/c1-13(21)9(20)7(4-19)23-12(13)18-6-16-8-10(17(2)22-3)14-5-15-11(8)18/h5-7,9,12,19-21H,4H2,1-3H3/t7-,9-,12-,13-/m1/s1
InChIKey
CRKMPGPXYPPOPS-NHULRPGXSA-N
Compound name
(2R,3R,4R,5R)-5-(hydroxymethyl)-2-[6-[methoxy(methyl)amino]purin-9-yl]-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1386 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14588 169.9
[M+Na]+ 348.12782 179.6
[M-H]- 324.13132 172.4
[M+NH4]+ 343.17242 182.7
[M+K]+ 364.10176 178.6
[M+H-H2O]+ 308.13586 162.5
[M+HCOO]- 370.13680 186.3
[M+CH3COO]- 384.15245 205.9
[M+Na-2H]- 346.11327 172.4
[M]+ 325.13805 174.9
[M]- 325.13915 174.9
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

No patent data available for this compound.