CID 139596478

Gamma-co

Structural Information

Molecular Formula
C25H26O4
SMILES
CCOC1=CC=C(C=C1)C(C)(C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)24(26)28-18-19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3
InChIKey
OTWTXCAEJQLQPE-UHFFFAOYSA-N
Compound name
(3-phenoxyphenyl)methyl 2-(4-ethoxyphenyl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

47
Patents

390.1831 Da
Monoisotopic Mass

6.0
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

patents stripe