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
4
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 196.8
[M+Na]+ 413.17232 201.5
[M-H]- 389.17582 205.7
[M+NH4]+ 408.21692 207.3
[M+K]+ 429.14626 197.7
[M+H-H2O]+ 373.18036 186.5
[M+HCOO]- 435.18130 216.8
[M+CH3COO]- 449.19695 220.9
[M+Na-2H]- 411.15777 199.5
[M]+ 390.18255 201.2
[M]- 390.18365 201.2
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.