CID 118993836

1799707-26-8

Structural Information

Molecular Formula
C34H46O2
SMILES
CCCCCCCOC1=CC=C(C=C1)C(C)(C2=CC=CC=C2)C3=CC=C(C=C3)OCCCCCCC
InChI
InChI=1S/C34H46O2/c1-4-6-8-10-15-27-35-32-23-19-30(20-24-32)34(3,29-17-13-12-14-18-29)31-21-25-33(26-22-31)36-28-16-11-9-7-5-2/h12-14,17-26H,4-11,15-16,27-28H2,1-3H3
InChIKey
GYJHCTNSYNTKGX-UHFFFAOYSA-N
Compound name
1-heptoxy-4-[1-(4-heptoxyphenyl)-1-phenylethyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

486.3498 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.35708 231.8
[M+Na]+ 509.33902 232.6
[M-H]- 485.34252 238.5
[M+NH4]+ 504.38362 238.3
[M+K]+ 525.31296 225.4
[M+H-H2O]+ 469.34706 219.6
[M+HCOO]- 531.34800 248.9
[M+CH3COO]- 545.36365 243.4
[M+Na-2H]- 507.32447 230.3
[M]+ 486.34925 237.5
[M]- 486.35035 237.5
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.