CID 206601

Alpha-(p-chlorophenyl)-alpha-2-imidazolin-2-yl-2-pyridinemethanol maleate

Structural Information

Molecular Formula

C₁₅H₁₄ClN₃O

SMILES

C1CN=C(N1)C(C2=CC=C(C=C2)Cl)C3=CNC(=O)C=C3

InChI

InChI=1S/C15H14ClN3O/c16-12-4-1-10(2-5-12)14(15-17-7-8-18-15)11-3-6-13(20)19-9-11/h1-6,9,14H,7-8H2,(H,17,18)(H,19,20)

InChIKey

AWXFXBJXMQTBSC-UHFFFAOYSA-N

Compound name

5-[(4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methyl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.08255 Da
Monoisotopic Mass: 1.0
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]+	288.089826	163.8
[M+Na]+	310.071768	171.7
[M-H]-	286.075274	166.7
[M+NH4]+	305.116373	175.9
[M+K]+	326.045708	163.8
[M+H-H2O]+	270.079810	154.2
[M+HCOO]-	332.080751	176.1
[M+CH3COO]-	346.096401	173.6
[M+Na-2H]-	308.057216	165.8
[M]+	287.08200142	160.7
[M]-	287.08309858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.