CID 3067159

1-((2-methyl-2-(4-methylphenyl)butoxy)methyl)-3-phenoxybenzene

Structural Information

Molecular Formula
C25H28O2
SMILES
CCC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C25H28O2/c1-4-25(3,22-15-13-20(2)14-16-22)19-26-18-21-9-8-12-24(17-21)27-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
InChIKey
DYYYQQOQKBOFRZ-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

360.20892 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21620 192.2
[M+Na]+ 383.19814 208.4
[M+NH4]+ 378.24274 200.9
[M+K]+ 399.17208 198.1
[M-H]- 359.20164 199.4
[M+Na-2H]- 381.18359 203.7
[M]+ 360.20837 197.0
[M]- 360.20947 197.0
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