CID 750432

1658-97-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₃S

SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C12H17NO3S/c1-4-13(5-2)17(15,16)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3

InChIKey

OKAAHYQTIYWBEL-UHFFFAOYSA-N

Compound name

4-acetyl-N,N-diethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 255.09291 Da
Monoisotopic Mass: 1.5
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]+	256.100186	155.6
[M+Na]+	278.082128	162.5
[M-H]-	254.085634	160.7
[M+NH4]+	273.126733	173.4
[M+K]+	294.056068	160.8
[M+H-H2O]+	238.090170	149.0
[M+HCOO]-	300.091111	173.9
[M+CH3COO]-	314.106761	198.3
[M+Na-2H]-	276.067576	157.8
[M]+	255.09236142	160.6
[M]-	255.09345858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe