CID 3032539

3,4-bis(4-methoxyphenyl)hex-3-ene

Structural Information

Molecular Formula
C20H24O2
SMILES
CC/C(=C(/CC)\C1=CC=C(C=C1)OC)/C2=CC=C(C=C2)OC
InChI
InChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+
InChIKey
VQOAQMIKPYNCMV-FMQUCBEESA-N
Compound name
1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

504
Patents

296.17764 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.184916 172.9
[M+Na]+ 319.166858 178.4
[M-H]- 295.170364 179.1
[M+NH4]+ 314.211463 188.1
[M+K]+ 335.140798 174.7
[M+H-H2O]+ 279.174900 164.8
[M+HCOO]- 341.175841 193.8
[M+CH3COO]- 355.191491 206.5
[M+Na-2H]- 317.152306 173.8
[M]+ 296.17709142 175.6
[M]- 296.17818858 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe