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

2
Patents

383.18048 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.187756 190.1
[M+Na]+ 406.169698 195.9
[M-H]- 382.173204 187.5
[M+NH4]+ 401.214303 194.5
[M+K]+ 422.143638 192.3
[M+H-H2O]+ 366.177740 181.2
[M+HCOO]- 428.178681 198.6
[M+CH3COO]- 442.194331 213.6
[M+Na-2H]- 404.155146 189.5
[M]+ 383.17993142 190.0
[M]- 383.18102858 190.0
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.