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

8
Patents

374.1882 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.195476 193.3
[M+Na]+ 397.177418 198.1
[M-H]- 373.180924 202.2
[M+NH4]+ 392.222023 204.4
[M+K]+ 413.151358 193.6
[M+H-H2O]+ 357.185460 183.2
[M+HCOO]- 419.186401 213.1
[M+CH3COO]- 433.202051 219.5
[M+Na-2H]- 395.162866 195.9
[M]+ 374.18765142 196.4
[M]- 374.18874858 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