CID 3042525

1-ethoxy-4-(2-methyl-2-(4-propoxyphenyl)propyl)benzene

Structural Information

Molecular Formula
C21H28O2
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(C)C
InChI
InChI=1S/C21H28O2/c1-5-15-23-20-13-9-18(10-14-20)21(16(3)4)17-7-11-19(12-8-17)22-6-2/h7-14,16,21H,5-6,15H2,1-4H3
InChIKey
CQPAXJPNWLKMNL-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-methyl-1-(4-propoxyphenyl)propyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.20892 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.216196 178.8
[M+Na]+ 335.198138 183.5
[M-H]- 311.201644 184.7
[M+NH4]+ 330.242743 193.3
[M+K]+ 351.172078 180.1
[M+H-H2O]+ 295.206180 170.3
[M+HCOO]- 357.207121 199.2
[M+CH3COO]- 371.222771 210.9
[M+Na-2H]- 333.183586 179.1
[M]+ 312.20837142 182.7
[M]- 312.20946858 182.7
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

No patent data available for this compound.