CID 3067165

80844-12-8

Structural Information

Molecular Formula
C25H26O3
SMILES
CC(=O)C1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H26O3/c1-19(26)21-12-14-22(15-13-21)25(2,3)18-27-17-20-8-7-11-24(16-20)28-23-9-5-4-6-10-23/h4-16H,17-18H2,1-3H3
InChIKey
ABRZNOJLDNVPCH-UHFFFAOYSA-N
Compound name
1-[4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

374.1882 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19548 193.4
[M+Na]+ 397.17742 208.7
[M+NH4]+ 392.22202 201.1
[M+K]+ 413.15136 199.8
[M-H]- 373.18092 199.6
[M+Na-2H]- 395.16287 204.1
[M]+ 374.18765 197.6
[M]- 374.18875 197.6
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