CID 3067164

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

Structural Information

Molecular Formula
C26H30O3
SMILES
CC(C)OC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C26H30O3/c1-20(2)28-24-15-13-22(14-16-24)26(3,4)19-27-18-21-9-8-12-25(17-21)29-23-10-6-5-7-11-23/h5-17,20H,18-19H2,1-4H3
InChIKey
BENHWIZPINVYGL-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

390.21948 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22676 199.0
[M+Na]+ 413.20870 203.1
[M-H]- 389.21220 207.7
[M+NH4]+ 408.25330 209.6
[M+K]+ 429.18264 199.0
[M+H-H2O]+ 373.21674 188.7
[M+HCOO]- 435.21768 218.3
[M+CH3COO]- 449.23333 223.2
[M+Na-2H]- 411.19415 201.0
[M]+ 390.21893 203.1
[M]- 390.22003 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