CID 5280583

O-beta-d-xylosylzeatin

Structural Information

Molecular Formula
C15H21N5O5
SMILES
C/C(=C/CNC1=NC=NC2=C1NC=N2)/CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O
InChI
InChI=1S/C15H21N5O5/c1-8(4-24-15-12(23)11(22)9(21)5-25-15)2-3-16-13-10-14(18-6-17-10)20-7-19-13/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H2,16,17,18,19,20)/b8-2-/t9-,11+,12-,15-/m1/s1
InChIKey
BTXBYCHDVZGXMF-IEDJDMPFSA-N
Compound name
(2R,3R,4S,5R)-2-[(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-enoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.15427 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16155 182.1
[M+Na]+ 374.14349 190.6
[M+NH4]+ 369.18809 184.6
[M+K]+ 390.11743 190.3
[M-H]- 350.14699 181.5
[M+Na-2H]- 372.12894 182.4
[M]+ 351.15372 182.4
[M]- 351.15482 182.4
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.