CID 3067134

80843-79-4

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H28O4/c1-25(2,20-8-10-21(26-3)11-9-20)18-28-17-19-6-5-7-24(16-19)29-23-14-12-22(27-4)13-15-23/h5-16H,17-18H2,1-4H3
InChIKey
SGTLBDCRTSVKET-UHFFFAOYSA-N
Compound name
1-methoxy-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

392.19876 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 198.0
[M+Na]+ 415.18798 203.6
[M-H]- 391.19148 207.2
[M+NH4]+ 410.23258 208.8
[M+K]+ 431.16192 199.9
[M+H-H2O]+ 375.19602 187.6
[M+HCOO]- 437.19696 218.8
[M+CH3COO]- 451.21261 222.7
[M+Na-2H]- 413.17343 201.1
[M]+ 392.19821 204.2
[M]- 392.19931 204.2
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