CID 25201996

Dihydrozeatin-9-n-glucoside

Structural Information

Molecular Formula
C16H25N5O6
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
InChI
InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16+/m1/s1
InChIKey
DRPMMLWYLAPTPK-CLORPHGJSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

383.18048 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18776 191.5
[M+Na]+ 406.16970 199.4
[M+NH4]+ 401.21430 193.2
[M+K]+ 422.14364 200.2
[M-H]- 382.17320 190.4
[M+Na-2H]- 404.15515 190.0
[M]+ 383.17993 191.6
[M]- 383.18103 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.