CID 25245008

Trans-zeatin-o-glucoside-7-n-glucoside

Structural Information

Molecular Formula
C22H33N5O11
SMILES
C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C22H33N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h2,7-8,10-11,13-18,21-22,28-35H,3-6H2,1H3,(H,23,24,25)/b9-2+/t10-,11-,13-,14-,15+,16+,17-,18-,21+,22+/m1/s1
InChIKey
DTPCZPXFOQSQNC-YDZGMUMUSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[(E)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]amino]purin-9-yl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

543.21765 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.22493 219.2
[M+Na]+ 566.20687 220.4
[M-H]- 542.21037 208.1
[M+NH4]+ 561.25147 217.6
[M+K]+ 582.18081 217.9
[M+H-H2O]+ 526.21491 206.2
[M+HCOO]- 588.21585 219.7
[M+CH3COO]- 602.23150 224.1
[M+Na-2H]- 564.19232 227.8
[M]+ 543.21710 222.9
[M]- 543.21820 222.9
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.