CID 4608762

1568-74-7

Structural Information

Molecular Formula
C20H18O2
SMILES
COC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H18O2/c1-21-19-10-6-15(7-11-19)17-4-3-5-18(14-17)16-8-12-20(22-2)13-9-16/h3-14H,1-2H3
InChIKey
CNIVKSMELXXQAZ-UHFFFAOYSA-N
Compound name
1,3-bis(4-methoxyphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

290.13068 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 168.2
[M+Na]+ 313.11990 176.1
[M-H]- 289.12340 178.1
[M+NH4]+ 308.16450 183.4
[M+K]+ 329.09384 171.5
[M+H-H2O]+ 273.12794 159.0
[M+HCOO]- 335.12888 192.2
[M+CH3COO]- 349.14453 180.5
[M+Na-2H]- 311.10535 173.1
[M]+ 290.13013 170.5
[M]- 290.13123 170.5
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.