CID 3059778

Propiophenone, 2-(1-imidazolyl)-2-methyl-4'-phenethyl-, hydrochloride

Structural Information

Molecular Formula
C21H22N2O
SMILES
CC(C)(C(=O)C1=CC=C(C=C1)CCC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C21H22N2O/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/h3-7,10-16H,8-9H2,1-2H3
InChIKey
ZMATVJWUHFCUGH-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-2-methyl-1-[4-(2-phenylethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

318.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 178.4
[M+Na]+ 341.16244 184.4
[M-H]- 317.16594 185.1
[M+NH4]+ 336.20704 191.1
[M+K]+ 357.13638 178.9
[M+H-H2O]+ 301.17048 168.4
[M+HCOO]- 363.17142 197.6
[M+CH3COO]- 377.18707 207.5
[M+Na-2H]- 339.14789 181.2
[M]+ 318.17267 178.9
[M]- 318.17377 178.9
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

patents stripe