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 178.8
[M+Na]+ 335.19814 183.5
[M-H]- 311.20164 184.7
[M+NH4]+ 330.24274 193.3
[M+K]+ 351.17208 180.1
[M+H-H2O]+ 295.20618 170.3
[M+HCOO]- 357.20712 199.2
[M+CH3COO]- 371.22277 210.9
[M+Na-2H]- 333.18359 179.1
[M]+ 312.20837 182.7
[M]- 312.20947 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.