CID 3067186

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

Structural Information

Molecular Formula
C26H30O4
SMILES
CCOCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C26H30O4/c1-4-27-20-29-23-15-13-22(14-16-23)26(2,3)19-28-18-21-9-8-12-25(17-21)30-24-10-6-5-7-11-24/h5-17H,4,18-20H2,1-3H3
InChIKey
FKEGMQOBNPESIH-UHFFFAOYSA-N
Compound name
1-(ethoxymethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

406.21442 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 202.6
[M+Na]+ 429.20364 206.9
[M-H]- 405.20714 211.2
[M+NH4]+ 424.24824 212.5
[M+K]+ 445.17758 202.8
[M+H-H2O]+ 389.21168 191.8
[M+HCOO]- 451.21262 223.1
[M+CH3COO]- 465.22827 224.3
[M+Na-2H]- 427.18909 205.8
[M]+ 406.21387 208.7
[M]- 406.21497 208.7
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