CID 13964509

Chebi:168356

Structural Information

Molecular Formula
C20H28O10
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C=C)CO)O)O)O)O)O
InChI
InChI=1S/C20H28O10/c1-3-10-4-6-11(7-5-10)28-20-18(16(25)14(23)12(8-21)29-20)30-19-17(26)15(24)13(22)9(2)27-19/h3-7,9,12-26H,1,8H2,2H3
InChIKey
DIBOBJSTTKLQQV-UHFFFAOYSA-N
Compound name
2-[2-(4-ethenylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

428.16824 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.17552 200.3
[M+Na]+ 451.15746 203.6
[M-H]- 427.16096 203.3
[M+NH4]+ 446.20206 203.4
[M+K]+ 467.13140 203.3
[M+H-H2O]+ 411.16550 192.0
[M+HCOO]- 473.16644 205.9
[M+CH3COO]- 487.18209 220.6
[M+Na-2H]- 449.14291 195.9
[M]+ 428.16769 198.8
[M]- 428.16879 198.8
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

patents stripe