CID 81543

7109-27-5

Structural Information

Molecular Formula
C23H22O3
SMILES
COC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H22O3/c1-24-20-10-4-17(5-11-20)16-23(18-6-12-21(25-2)13-7-18)19-8-14-22(26-3)15-9-19/h4-16H,1-3H3
InChIKey
DMGVRXGFVGFXGC-UHFFFAOYSA-N
Compound name
1-[1,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

346.1569 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16418 184.5
[M+Na]+ 369.14612 191.0
[M-H]- 345.14962 194.0
[M+NH4]+ 364.19072 197.2
[M+K]+ 385.12006 186.3
[M+H-H2O]+ 329.15416 174.6
[M+HCOO]- 391.15510 206.8
[M+CH3COO]- 405.17075 213.8
[M+Na-2H]- 367.13157 186.6
[M]+ 346.15635 187.8
[M]- 346.15745 187.8
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