CID 52772

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

Structural Information

Molecular Formula
C21H24N2O
SMILES
CC(C)(C(C1=CC=C(C=C1)CCC2=CC=CC=C2)O)N3C=CN=C3
InChI
InChI=1S/C21H24N2O/c1-21(2,23-15-14-22-16-23)20(24)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h3-7,10-16,20,24H,8-9H2,1-2H3
InChIKey
WSRMFQKIKZDXQG-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-2-methyl-1-[4-(2-phenylethyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 179.8
[M+Na]+ 343.17809 193.4
[M+NH4]+ 338.22269 187.3
[M+K]+ 359.15203 187.6
[M-H]- 319.18159 184.2
[M+Na-2H]- 341.16354 189.4
[M]+ 320.18832 183.1
[M]- 320.18942 183.1
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

patents stripe