CID 3027267

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

Structural Information

Molecular Formula
C26H30O3
SMILES
CCOC1=C(C=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C26H30O3/c1-5-28-25-15-14-22(16-20(25)2)26(3,4)19-27-18-21-10-9-13-24(17-21)29-23-11-7-6-8-12-23/h6-17H,5,18-19H2,1-4H3
InChIKey
WMIYCPXSVSJHEQ-UHFFFAOYSA-N
Compound name
1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

390.21948 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.226756 199.3
[M+Na]+ 413.208698 204.7
[M-H]- 389.212204 208.3
[M+NH4]+ 408.253303 210.3
[M+K]+ 429.182638 200.0
[M+H-H2O]+ 373.216740 189.0
[M+HCOO]- 435.217681 219.6
[M+CH3COO]- 449.233331 223.5
[M+Na-2H]- 411.194146 201.8
[M]+ 390.21893142 204.4
[M]- 390.22002858 204.4
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