CID 94958

5434-03-7

Structural Information

Molecular Formula

C₁₄H₁₅NO₂S

SMILES

CC1=CC=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)15-18(16,17)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3

InChIKey

YEIBHZWRMVSTRN-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)-1-phenylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 261.08234 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]+	262.089616	157.1
[M+Na]+	284.071558	164.9
[M-H]-	260.075064	164.0
[M+NH4]+	279.116163	173.9
[M+K]+	300.045498	160.1
[M+H-H2O]+	244.079600	149.9
[M+HCOO]-	306.080541	176.6
[M+CH3COO]-	320.096191	194.7
[M+Na-2H]-	282.057006	162.6
[M]+	261.08179142	159.0
[M]-	261.08288858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe