CID 70089113

4-(3,5-dimethoxystyryl)phenyl acetate

Structural Information

Molecular Formula
C18H18O4
SMILES
CC(=O)OC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC
InChI
InChI=1S/C18H18O4/c1-13(19)22-16-8-6-14(7-9-16)4-5-15-10-17(20-2)12-18(11-15)21-3/h4-12H,1-3H3
InChIKey
ZXUAYFOXIYGOLN-UHFFFAOYSA-N
Compound name
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

298.1205 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 168.3
[M+Na]+ 321.10972 176.1
[M-H]- 297.11322 175.3
[M+NH4]+ 316.15432 183.7
[M+K]+ 337.08366 173.1
[M+H-H2O]+ 281.11776 160.3
[M+HCOO]- 343.11870 191.6
[M+CH3COO]- 357.13435 203.6
[M+Na-2H]- 319.09517 171.0
[M]+ 298.11995 173.6
[M]- 298.12105 173.6
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