CID 3027266

Benzene, 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-1-ethoxy-2-methoxy-

Structural Information

Molecular Formula
C26H30O4
SMILES
CCOC1=C(C=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3)OC
InChI
InChI=1S/C26H30O4/c1-5-29-24-15-14-21(17-25(24)27-4)26(2,3)19-28-18-20-10-9-13-23(16-20)30-22-11-7-6-8-12-22/h6-17H,5,18-19H2,1-4H3
InChIKey
SAYWUKWSBRJTRG-UHFFFAOYSA-N
Compound name
1-ethoxy-2-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 207.7
[M-H]- 405.20714 211.5
[M+NH4]+ 424.24824 212.8
[M+K]+ 445.17758 203.8
[M+H-H2O]+ 389.21168 191.9
[M+HCOO]- 451.21262 223.0
[M+CH3COO]- 465.22827 225.6
[M+Na-2H]- 427.18909 205.1
[M]+ 406.21387 209.1
[M]- 406.21497 209.1
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