CID 53628

1-propanol, 1-(p-phenethylphenyl)-2-(1-imidazolyl)-, hydrochloride

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC(C1=C(C=CC(=C1)CCC2=CC=CC=C2)CO)N3C=CN=C3
InChI
InChI=1S/C20H22N2O/c1-16(22-12-11-21-15-22)20-13-18(9-10-19(20)14-23)8-7-17-5-3-2-4-6-17/h2-6,9-13,15-16,23H,7-8,14H2,1H3
InChIKey
WHGZOHDSVKLMAN-UHFFFAOYSA-N
Compound name
[2-(1-imidazol-1-ylethyl)-4-(2-phenylethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 176.0
[M+Na]+ 329.16244 190.6
[M+NH4]+ 324.20704 183.8
[M+K]+ 345.13638 183.8
[M-H]- 305.16594 181.0
[M+Na-2H]- 327.14789 185.6
[M]+ 306.17267 179.6
[M]- 306.17377 179.6
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.