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]+ 313.21620 178.3
[M+Na]+ 335.19814 192.0
[M+NH4]+ 330.24274 186.5
[M+K]+ 351.17208 183.6
[M-H]- 311.20164 183.0
[M+Na-2H]- 333.18359 186.2
[M]+ 312.20837 181.7
[M]- 312.20947 181.7
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.