CID 25201670

Dihydrozeatin-9-n-glucoside-o-glucoside

Structural Information

Molecular Formula
C22H35N5O11
SMILES
CC(CCNC1=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/C22H35N5O11/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/h7-11,13-18,21-22,28-35H,2-6H2,1H3,(H,23,24,25)/t9?,10-,11-,13-,14-,15+,16+,17-,18-,21+,22+/m1/s1
InChIKey
KDIRTCPHKDPWMQ-ASAMELDWSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]amino]purin-9-yl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

545.23334 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.24062 220.9
[M+Na]+ 568.22256 222.2
[M-H]- 544.22606 209.8
[M+NH4]+ 563.26716 219.3
[M+K]+ 584.19650 219.7
[M+H-H2O]+ 528.23060 208.0
[M+HCOO]- 590.23154 221.4
[M+CH3COO]- 604.24719 225.7
[M+Na-2H]- 566.20801 229.6
[M]+ 545.23279 224.7
[M]- 545.23389 224.7
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.