CID 3007596

107659-19-8

Structural Information

Molecular Formula

C₁₅H₁₇ClN₂O₂

SMILES

CC(C)C(=O)C(CN1C=CN=C1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C15H17ClN2O2/c1-11(2)14(19)15(20,9-18-8-7-17-10-18)12-3-5-13(16)6-4-12/h3-8,10-11,20H,9H2,1-2H3

InChIKey

DPLAAXUTVBZPEW-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-2-hydroxy-1-imidazol-1-yl-4-methylpentan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 292.09787 Da
Monoisotopic Mass: 2.2
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]+	293.105146	166.8
[M+Na]+	315.087088	174.0
[M-H]-	291.090594	169.5
[M+NH4]+	310.131693	181.2
[M+K]+	331.061028	169.2
[M+H-H2O]+	275.095130	159.2
[M+HCOO]-	337.096071	179.8
[M+CH3COO]-	351.111721	197.8
[M+Na-2H]-	313.072536	168.7
[M]+	292.09732142	169.0
[M]-	292.09841858	169.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.