CID 3067193

Benzene, 1-((2-(3,4-dimethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

392.19876 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.206036 198.0
[M+Na]+ 415.187978 203.6
[M-H]- 391.191484 207.2
[M+NH4]+ 410.232583 208.8
[M+K]+ 431.161918 199.9
[M+H-H2O]+ 375.196020 187.6
[M+HCOO]- 437.196961 218.8
[M+CH3COO]- 451.212611 222.7
[M+Na-2H]- 413.173426 201.1
[M]+ 392.19821142 204.2
[M]- 392.19930858 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