CID 3012218

Chembl188634

Structural Information

Molecular Formula
C19H20N2O
SMILES
CC1=CC=C(C=C1)OC(CCN2C=CN=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O/c1-16-7-9-18(10-8-16)22-19(17-5-3-2-4-6-17)11-13-21-14-12-20-15-21/h2-10,12,14-15,19H,11,13H2,1H3
InChIKey
JOGOREDHESCZMA-UHFFFAOYSA-N
Compound name
1-[3-(4-methylphenoxy)-3-phenylpropyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

292.15756 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 169.8
[M+Na]+ 315.14678 176.0
[M-H]- 291.15028 176.5
[M+NH4]+ 310.19138 183.5
[M+K]+ 331.12072 171.0
[M+H-H2O]+ 275.15482 159.4
[M+HCOO]- 337.15576 191.1
[M+CH3COO]- 351.17141 180.6
[M+Na-2H]- 313.13223 172.9
[M]+ 292.15701 170.8
[M]- 292.15811 170.8
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

No patent data available for this compound.