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 193.3
[M+Na]+ 397.17742 198.1
[M-H]- 373.18092 202.2
[M+NH4]+ 392.22202 204.4
[M+K]+ 413.15136 193.6
[M+H-H2O]+ 357.18546 183.2
[M+HCOO]- 419.18640 213.1
[M+CH3COO]- 433.20205 219.5
[M+Na-2H]- 395.16287 195.9
[M]+ 374.18765 196.4
[M]- 374.18875 196.4
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