CID 3067192

80853-90-3

Structural Information

Molecular Formula
C26H28O2
SMILES
CC(=C)C1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C26H28O2/c1-20(2)22-13-15-23(16-14-22)26(3,4)19-27-18-21-9-8-12-25(17-21)28-24-10-6-5-7-11-24/h5-17H,1,18-19H2,2-4H3
InChIKey
LINWNNQVNTVMSD-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

372.20892 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21620 194.3
[M+Na]+ 395.19814 198.9
[M-H]- 371.20164 203.0
[M+NH4]+ 390.24274 205.7
[M+K]+ 411.17208 193.4
[M+H-H2O]+ 355.20618 184.4
[M+HCOO]- 417.20712 213.7
[M+CH3COO]- 431.22277 220.4
[M+Na-2H]- 393.18359 196.3
[M]+ 372.20837 196.4
[M]- 372.20947 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