CID 11740302

Kinetin-7-n-glucoside

Structural Information

Molecular Formula
C16H19N5O6
SMILES
C1=COC(=C1)CNC2=NC=NC3=C2N(C=N3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1
InChIKey
AXJIOWGMASZFOU-HDNYONAXSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

377.13354 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.140816 183.3
[M+Na]+ 400.122758 190.9
[M-H]- 376.126264 186.8
[M+NH4]+ 395.167363 188.7
[M+K]+ 416.096698 188.2
[M+H-H2O]+ 360.130800 174.6
[M+HCOO]- 422.131741 195.5
[M+CH3COO]- 436.147391 191.6
[M+Na-2H]- 398.108206 183.7
[M]+ 377.13299142 184.6
[M]- 377.13408858 184.6
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.