CID 11140953

(e,e)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene

Structural Information

Molecular Formula
C20H22O2
SMILES
COC1=CC=C(C=C1)/C=C/CC/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C20H22O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h5-16H,3-4H2,1-2H3/b7-5+,8-6+
InChIKey
FWOYMKXDIXNXIC-KQQUZDAGSA-N
Compound name
1-methoxy-4-[(1E,5E)-6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

294.162 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16928 171.7
[M+Na]+ 317.15122 178.2
[M-H]- 293.15472 177.7
[M+NH4]+ 312.19582 187.1
[M+K]+ 333.12516 172.8
[M+H-H2O]+ 277.15926 163.3
[M+HCOO]- 339.16020 194.9
[M+CH3COO]- 353.17585 203.4
[M+Na-2H]- 315.13667 175.0
[M]+ 294.16145 174.9
[M]- 294.16255 174.9
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.