CID 3057020

N-(1-(4-phenethyl)benzoylethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C20H20N2O
SMILES
CC(C(=O)C1=CC=C(C=C1)CCC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C20H20N2O/c1-16(22-14-13-21-15-22)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17/h2-6,9-16H,7-8H2,1H3
InChIKey
FBLCBJNHTDUALM-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

304.15756 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.164836 173.6
[M+Na]+ 327.146778 179.3
[M-H]- 303.150284 180.3
[M+NH4]+ 322.191383 186.7
[M+K]+ 343.120718 174.0
[M+H-H2O]+ 287.154820 163.3
[M+HCOO]- 349.155761 193.8
[M+CH3COO]- 363.171411 183.9
[M+Na-2H]- 325.132226 175.1
[M]+ 304.15701142 173.7
[M]- 304.15810858 173.7
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