CID 131688

133920-65-7

Structural Information

Molecular Formula

C₁₂H₁₆FN₃O₃S

SMILES

CC(=O)N1CCN(CC1)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H16FN3O3S/c1-10(17)15-6-8-16(9-7-15)14-20(18,19)12-4-2-11(13)3-5-12/h2-5,14H,6-9H2,1H3

InChIKey

PZQKOVUNWPDCCQ-UHFFFAOYSA-N

Compound name

N-(4-acetylpiperazin-1-yl)-4-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 45
Patents: 301.08963 Da
Monoisotopic Mass: 0.5
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]+	302.09691	165.1
[M+Na]+	324.07885	173.8
[M+NH4]+	319.12345	170.1
[M+K]+	340.05279	168.0
[M-H]-	300.08235	164.7
[M+Na-2H]-	322.06430	169.4
[M]+	301.08908	166.2
[M]-	301.09018	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe