CID 41819

56265-21-5

Structural Information

Molecular Formula
C20H26O2
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)C
InChI
InChI=1S/C20H26O2/c1-5-21-18-11-7-16(8-12-18)20(15(3)4)17-9-13-19(14-10-17)22-6-2/h7-15,20H,5-6H2,1-4H3
InChIKey
VMMKCQFUDUUQLY-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[1-(4-ethoxyphenyl)-2-methylpropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.19327 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.200546 174.1
[M+Na]+ 321.182488 179.3
[M-H]- 297.185994 180.2
[M+NH4]+ 316.227093 189.2
[M+K]+ 337.156428 176.1
[M+H-H2O]+ 281.190530 165.8
[M+HCOO]- 343.191471 194.8
[M+CH3COO]- 357.207121 208.0
[M+Na-2H]- 319.167936 175.0
[M]+ 298.19272142 177.6
[M]- 298.19381858 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.