CID 3067191

80853-89-0

Structural Information

Molecular Formula
C26H30O3
SMILES
CC(C1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3)OC
InChI
InChI=1S/C26H30O3/c1-20(27-4)22-13-15-23(16-14-22)26(2,3)19-28-18-21-9-8-12-25(17-21)29-24-10-6-5-7-11-24/h5-17,20H,18-19H2,1-4H3
InChIKey
LDNQDHITMCULEY-UHFFFAOYSA-N
Compound name
1-(1-methoxyethyl)-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

390.21948 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.226756 199.0
[M+Na]+ 413.208698 203.1
[M-H]- 389.212204 207.7
[M+NH4]+ 408.253303 209.6
[M+K]+ 429.182638 199.0
[M+H-H2O]+ 373.216740 188.7
[M+HCOO]- 435.217681 218.3
[M+CH3COO]- 449.233331 223.2
[M+Na-2H]- 411.194146 201.0
[M]+ 390.21893142 203.1
[M]- 390.22002858 203.1
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