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 196.5
[M+Na]+ 415.18798 208.9
[M+NH4]+ 410.23258 201.4
[M+K]+ 431.16192 202.2
[M-H]- 391.19148 198.4
[M+Na-2H]- 413.17343 201.6
[M]+ 392.19821 198.7
[M]- 392.19931 198.7
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