CID 3067206

80854-05-3

Structural Information

Molecular Formula
C26H30O3
SMILES
CCC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C26H30O3/c1-4-26(3,22-14-16-23(17-15-22)28-5-2)20-27-19-21-10-9-13-25(18-21)29-24-11-7-6-8-12-24/h6-18H,4-5,19-20H2,1-3H3
InChIKey
GYISLIQJPVSSJB-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 199.5
[M+Na]+ 413.208698 203.9
[M-H]- 389.212204 208.0
[M+NH4]+ 408.253303 210.1
[M+K]+ 429.182638 199.1
[M+H-H2O]+ 373.216740 188.9
[M+HCOO]- 435.217681 219.8
[M+CH3COO]- 449.233331 222.3
[M+Na-2H]- 411.194146 202.6
[M]+ 390.21893142 204.1
[M]- 390.22002858 204.1
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