CID 183480

Benzeneacetic acid, 4-methoxy-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester

Structural Information

Molecular Formula
C25H26O4
SMILES
CC(C)C(C1=CC=C(C=C1)OC)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H26O4/c1-18(2)24(20-12-14-21(27-3)15-13-20)25(26)28-17-19-8-7-11-23(16-19)29-22-9-5-4-6-10-22/h4-16,18,24H,17H2,1-3H3
InChIKey
GSHYEWYUVCOGFD-UHFFFAOYSA-N
Compound name
(3-phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

390.1831 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19038 195.6
[M+Na]+ 413.17232 210.0
[M+NH4]+ 408.21692 202.7
[M+K]+ 429.14626 202.1
[M-H]- 389.17582 201.5
[M+Na-2H]- 411.15777 205.2
[M]+ 390.18255 199.5
[M]- 390.18365 199.5
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