CID 17917283

N-methyl-2-phenylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₃H₁₃NO₂S

SMILES

CNS(=O)(=O)C1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C13H13NO2S/c1-14-17(15,16)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,14H,1H3

InChIKey

PZJGGOCORIRXBR-UHFFFAOYSA-N

Compound name

N-methyl-2-phenylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 247.0667 Da
Monoisotopic Mass: 2.5
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]+	248.07398	152.6
[M+Na]+	270.05592	160.9
[M-H]-	246.05942	159.8
[M+NH4]+	265.10052	170.0
[M+K]+	286.02986	156.3
[M+H-H2O]+	230.06396	145.7
[M+HCOO]-	292.06490	172.5
[M+CH3COO]-	306.08055	191.7
[M+Na-2H]-	268.04137	158.7
[M]+	247.06615	154.2
[M]-	247.06725	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe