CID 3007485

Chembl26977

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC(C1=CC=C(C=C1)OC)OC2=CC=CC=C2C(=C)N3C=CN=C3
InChI
InChI=1S/C20H20N2O2/c1-15(22-13-12-21-14-22)19-6-4-5-7-20(19)24-16(2)17-8-10-18(23-3)11-9-17/h4-14,16H,1H2,2-3H3
InChIKey
WECUDKAHIZNMMA-UHFFFAOYSA-N
Compound name
1-[1-[2-[1-(4-methoxyphenyl)ethoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.15247 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 176.7
[M+Na]+ 343.14169 183.1
[M-H]- 319.14519 183.8
[M+NH4]+ 338.18629 189.3
[M+K]+ 359.11563 178.6
[M+H-H2O]+ 303.14973 166.4
[M+HCOO]- 365.15067 197.0
[M+CH3COO]- 379.16632 208.2
[M+Na-2H]- 341.12714 177.5
[M]+ 320.15192 178.6
[M]- 320.15302 178.6
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

No patent data available for this compound.