CID 59215472

1071466-61-9

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=O)OC1=C(C=C(C=C1)C(C)(C)C2=CC(=C(C=C2)OC(=O)C)CC=C)CC=C
InChI
InChI=1S/C25H28O4/c1-7-9-19-15-21(11-13-23(19)28-17(3)26)25(5,6)22-12-14-24(29-18(4)27)20(16-22)10-8-2/h7-8,11-16H,1-2,9-10H2,3-6H3
InChIKey
GJTZQXNRNNDGRG-UHFFFAOYSA-N
Compound name
[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

392.19876 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 195.0
[M+Na]+ 415.18798 201.3
[M-H]- 391.19148 201.5
[M+NH4]+ 410.23258 206.6
[M+K]+ 431.16192 196.8
[M+H-H2O]+ 375.19602 186.9
[M+HCOO]- 437.19696 213.7
[M+CH3COO]- 451.21261 225.3
[M+Na-2H]- 413.17343 193.4
[M]+ 392.19821 200.7
[M]- 392.19931 200.7
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

patents stripe