CID 3057015

73931-85-8

Structural Information

Molecular Formula

C₂₀H₂₀N₂O

SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)CCN3C=CN=C3

InChI

InChI=1S/C20H20N2O/c23-20(12-14-22-15-13-21-16-22)19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-11,13,15-16H,6-7,12,14H2

InChIKey

IPLHRGCVXWHUOY-UHFFFAOYSA-N

Compound name

3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 304.15756 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.16484	173.6
[M+Na]+	327.14678	179.5
[M-H]-	303.15028	180.0
[M+NH4]+	322.19138	186.6
[M+K]+	343.12072	173.8
[M+H-H2O]+	287.15482	163.0
[M+HCOO]-	349.15576	194.7
[M+CH3COO]-	363.17141	184.0
[M+Na-2H]-	325.13223	176.1
[M]+	304.15701	174.2
[M]-	304.15811	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe