CID 210043

Benzamide, n,n-diethyl-p-(methylsulfonyl)-

Structural Information

Molecular Formula

C₁₂H₁₇NO₃S

SMILES

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

InChI

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

InChIKey

LRBZQHQLJLKAJP-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-methylsulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 255.09291 Da
Monoisotopic Mass: 0.6
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	155.8
[M+Na]+	278.082128	162.8
[M-H]-	254.085634	160.9
[M+NH4]+	273.126733	173.7
[M+K]+	294.056068	161.1
[M+H-H2O]+	238.090170	149.3
[M+HCOO]-	300.091111	174.1
[M+CH3COO]-	314.106761	197.7
[M+Na-2H]-	276.067576	158.0
[M]+	255.09236142	160.8
[M]-	255.09345858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe