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: 5
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]+	256.10019	157.4
[M+Na]+	278.08213	167.3
[M+NH4]+	273.12673	164.2
[M+K]+	294.05607	161.0
[M-H]-	254.08563	158.3
[M+Na-2H]-	276.06758	162.2
[M]+	255.09236	159.4
[M]-	255.09346	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe