CID 14312558

Phenethyl rutinoside

Structural Information

Molecular Formula
C20H30O10
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)O)O
InChI
InChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3
InChIKey
OKUGUNDXBGUFPA-UHFFFAOYSA-N
Compound name
2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

9
Patents

430.1839 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19118 200.4
[M+Na]+ 453.17312 207.8
[M+NH4]+ 448.21772 202.6
[M+K]+ 469.14706 207.0
[M-H]- 429.17662 203.0
[M+Na-2H]- 451.15857 198.5
[M]+ 430.18335 201.6
[M]- 430.18445 201.6
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

patents stripe