CID 457224

1-[1,2-bis(4-methoxyphenyl)ethyl]imidazole

Structural Information

Molecular Formula
C19H20N2O2
SMILES
COC1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC)N3C=CN=C3
InChI
InChI=1S/C19H20N2O2/c1-22-17-7-3-15(4-8-17)13-19(21-12-11-20-14-21)16-5-9-18(23-2)10-6-16/h3-12,14,19H,13H2,1-2H3
InChIKey
MKJGUKZXTVHQHM-UHFFFAOYSA-N
Compound name
1-[1,2-bis(4-methoxyphenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.1
[M+Na]+ 331.14169 180.0
[M-H]- 307.14519 180.2
[M+NH4]+ 326.18629 186.4
[M+K]+ 347.11563 175.7
[M+H-H2O]+ 291.14973 162.7
[M+HCOO]- 353.15067 194.6
[M+CH3COO]- 367.16632 205.1
[M+Na-2H]- 329.12714 175.5
[M]+ 308.15192 175.9
[M]- 308.15302 175.9
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.