CID 6453528

57817-83-1

Structural Information

Molecular Formula
C12H17N5O4
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC
InChI
InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKey
GRYSXUXXBDSYRT-WOUKDFQISA-N
Compound name
(2R,3R,4R,5R)-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7278
Patents

295.12805 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13533 166.3
[M+Na]+ 318.11727 176.6
[M+NH4]+ 313.16187 170.8
[M+K]+ 334.09121 177.6
[M-H]- 294.12077 167.2
[M+Na-2H]- 316.10272 168.3
[M]+ 295.12750 167.6
[M]- 295.12860 167.6
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