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]+ 309.159746 173.1
[M+Na]+ 331.141688 180.0
[M-H]- 307.145194 180.2
[M+NH4]+ 326.186293 186.4
[M+K]+ 347.115628 175.7
[M+H-H2O]+ 291.149730 162.7
[M+HCOO]- 353.150671 194.6
[M+CH3COO]- 367.166321 205.1
[M+Na-2H]- 329.127136 175.5
[M]+ 308.15192142 175.9
[M]- 308.15301858 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

literature stripe

Patent stripe

No patent data available for this compound.