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]+ 299.20055 174.1
[M+Na]+ 321.18249 179.3
[M-H]- 297.18599 180.2
[M+NH4]+ 316.22709 189.2
[M+K]+ 337.15643 176.1
[M+H-H2O]+ 281.19053 165.8
[M+HCOO]- 343.19147 194.8
[M+CH3COO]- 357.20712 208.0
[M+Na-2H]- 319.16794 175.0
[M]+ 298.19272 177.6
[M]- 298.19382 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.