CID 1989

Acetohexamide

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₄S

SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)

InChIKey

VGZSUPCWNCWDAN-UHFFFAOYSA-N

Compound name

1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 298
References: 27486
Patents: 324.11438 Da
Monoisotopic Mass: 2.4
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]+	325.121656	172.2
[M+Na]+	347.103598	174.9
[M-H]-	323.107104	177.4
[M+NH4]+	342.148203	185.2
[M+K]+	363.077538	171.8
[M+H-H2O]+	307.111640	164.5
[M+HCOO]-	369.112581	186.6
[M+CH3COO]-	383.128231	207.0
[M+Na-2H]-	345.089046	173.7
[M]+	324.11383142	169.5
[M]-	324.11492858	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe