CID 131753026

2-hydroxy-3-methyl-4h-pyran-4-one o-(6e-cinnamoyl-b-d-glucoside)

Structural Information

Molecular Formula
C21H22O9
SMILES
CC1=C(OC=CC1=O)OC2C(C(C(C(O2)COC(=O)/C=C/C3=CC=CC=C3)O)O)O
InChI
InChI=1S/C21H22O9/c1-12-14(22)9-10-27-20(12)30-21-19(26)18(25)17(24)15(29-21)11-28-16(23)8-7-13-5-3-2-4-6-13/h2-10,15,17-19,21,24-26H,11H2,1H3/b8-7+
InChIKey
JRUMXTPQUYPUHC-BQYQJAHWSA-N
Compound name
[3,4,5-trihydroxy-6-(3-methyl-4-oxopyran-2-yl)oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.12637 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13365 195.4
[M+Na]+ 441.11559 206.7
[M+NH4]+ 436.16019 198.3
[M+K]+ 457.08953 203.7
[M-H]- 417.11909 199.6
[M+Na-2H]- 439.10104 197.9
[M]+ 418.12582 197.8
[M]- 418.12692 197.8
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

No patent data available for this compound.