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 196.6
[M+Na]+ 413.17232 200.3
[M-H]- 389.17582 205.4
[M+NH4]+ 408.21692 206.8
[M+K]+ 429.14626 197.1
[M+H-H2O]+ 373.18036 186.1
[M+HCOO]- 435.18130 216.3
[M+CH3COO]- 449.19695 222.2
[M+Na-2H]- 411.15777 196.1
[M]+ 390.18255 200.3
[M]- 390.18365 200.3
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