CID 189485

117252-00-3

Structural Information

Molecular Formula
C25H26O4
SMILES
CCOC1=CC=C(C=C1)C(C)(C)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3
InChIKey
LXGQWWFUERYNCP-UHFFFAOYSA-N
Compound name
[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

390.1831 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19038 196.4
[M+Na]+ 413.17232 211.2
[M+NH4]+ 408.21692 203.5
[M+K]+ 429.14626 202.9
[M-H]- 389.17582 202.1
[M+Na-2H]- 411.15777 206.7
[M]+ 390.18255 200.4
[M]- 390.18365 200.4
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

No patent data available for this compound.