CID 96649

51123-09-2

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂S

SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3

InChIKey

ZAXMFSSGOARPBM-UHFFFAOYSA-N

Compound name

5-amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 15
Patents: 290.1089 Da
Monoisotopic Mass: 2.7
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]+	291.11618	165.9
[M+Na]+	313.09812	177.8
[M+NH4]+	308.14272	173.7
[M+K]+	329.07206	169.8
[M-H]-	289.10162	170.6
[M+Na-2H]-	311.08357	174.2
[M]+	290.10835	169.4
[M]-	290.10945	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe