CID 214468

33249-62-6

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₃S

SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O3S/c1-17(2)21(19,20)12-8-9-14(16)13(10-12)15(18)11-6-4-3-5-7-11/h3-10H,16H2,1-2H3

InChIKey

VOLBFVFIDSRBRE-UHFFFAOYSA-N

Compound name

4-amino-3-benzoyl-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 304.08817 Da
Monoisotopic Mass: 2.3
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]+	305.095446	167.9
[M+Na]+	327.077388	174.8
[M-H]-	303.080894	175.8
[M+NH4]+	322.121993	182.8
[M+K]+	343.051328	171.5
[M+H-H2O]+	287.085430	160.0
[M+HCOO]-	349.086371	187.0
[M+CH3COO]-	363.102021	208.8
[M+Na-2H]-	325.062836	170.4
[M]+	304.08762142	170.1
[M]-	304.08871858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe