CID 4223812

Sunifiram

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CCC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2/c1-2-13(17)15-8-10-16(11-9-15)14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3

InChIKey

DGOWDUFJCINDGI-UHFFFAOYSA-N

Compound name

1-(4-benzoylpiperazin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 37
References: 65
Patents: 246.13683 Da
Monoisotopic Mass: 1.1
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]+	247.14411	158.2
[M+Na]+	269.12605	169.8
[M+NH4]+	264.17065	165.1
[M+K]+	285.09999	163.8
[M-H]-	245.12955	160.1
[M+Na-2H]-	267.11150	164.2
[M]+	246.13628	160.1
[M]-	246.13738	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe