CID 3067188

3-phenoxybenzyl 2-(4-methoxymethoxyphenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OCOC
InChI
InChI=1S/C25H28O4/c1-25(2,21-12-14-22(15-13-21)28-19-26-3)18-27-17-20-8-7-11-24(16-20)29-23-9-5-4-6-10-23/h4-16H,17-19H2,1-3H3
InChIKey
IIPABYJRBUTBQT-UHFFFAOYSA-N
Compound name
1-(methoxymethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.19876 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 198.1
[M+Na]+ 415.18798 202.8
[M-H]- 391.19148 206.9
[M+NH4]+ 410.23258 208.6
[M+K]+ 431.16192 199.0
[M+H-H2O]+ 375.19602 187.5
[M+HCOO]- 437.19696 218.9
[M+CH3COO]- 451.21261 221.5
[M+Na-2H]- 413.17343 201.9
[M]+ 392.19821 203.8
[M]- 392.19931 203.8
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