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

25
Patents

392.19876 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.206036 195.0
[M+Na]+ 415.187978 201.3
[M-H]- 391.191484 201.5
[M+NH4]+ 410.232583 206.6
[M+K]+ 431.161918 196.8
[M+H-H2O]+ 375.196020 186.9
[M+HCOO]- 437.196961 213.7
[M+CH3COO]- 451.212611 225.3
[M+Na-2H]- 413.173426 193.4
[M]+ 392.19821142 200.7
[M]- 392.19930858 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