CID 85134319

4-acetyl-2-prenylphenol glucoside

Structural Information

Molecular Formula
C19H26O7
SMILES
CC(=CCC1=C(C=CC(=C1)C(=O)C)OC2C(C(C(C(O2)CO)O)O)O)C
InChI
InChI=1S/C19H26O7/c1-10(2)4-5-13-8-12(11(3)21)6-7-14(13)25-19-18(24)17(23)16(22)15(9-20)26-19/h4,6-8,15-20,22-24H,5,9H2,1-3H3
InChIKey
GVWZZKUSNVNWGC-UHFFFAOYSA-N
Compound name
1-[3-(3-methylbut-2-enyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

366.16785 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17513 186.0
[M+Na]+ 389.15707 190.4
[M-H]- 365.16057 187.7
[M+NH4]+ 384.20167 194.6
[M+K]+ 405.13101 188.4
[M+H-H2O]+ 349.16511 179.0
[M+HCOO]- 411.16605 197.0
[M+CH3COO]- 425.18170 211.5
[M+Na-2H]- 387.14252 181.5
[M]+ 366.16730 185.8
[M]- 366.16840 185.8
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.