CID 53404893

4'-o-acetyl-resveratrol

Structural Information

Molecular Formula
C16H14O4
SMILES
CC(=O)OC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)O
InChI
InChI=1S/C16H14O4/c1-11(17)20-16-6-4-12(5-7-16)2-3-13-8-14(18)10-15(19)9-13/h2-10,18-19H,1H3
InChIKey
MEMZFJTYLFBJEC-UHFFFAOYSA-N
Compound name
[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

270.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 160.1
[M+Na]+ 293.07842 167.9
[M-H]- 269.08192 164.7
[M+NH4]+ 288.12302 175.2
[M+K]+ 309.05236 163.6
[M+H-H2O]+ 253.08646 153.1
[M+HCOO]- 315.08740 181.0
[M+CH3COO]- 329.10305 192.8
[M+Na-2H]- 291.06387 162.9
[M]+ 270.08865 160.9
[M]- 270.08975 160.9
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