CID 5962587

Triacetylresveratrol

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(=O)OC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3/b5-4+
InChIKey
PDAYUJSOJIMKIS-SNAWJCMRSA-N
Compound name
[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

169
Patents

354.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 180.2
[M+Na]+ 377.09957 186.8
[M-H]- 353.10307 187.0
[M+NH4]+ 372.14417 192.8
[M+K]+ 393.07351 184.8
[M+H-H2O]+ 337.10761 171.8
[M+HCOO]- 399.10855 201.5
[M+CH3COO]- 413.12420 212.8
[M+Na-2H]- 375.08502 179.7
[M]+ 354.10980 186.2
[M]- 354.11090 186.2
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