CID 81439

N-tosylbenzamide

Structural Information

Molecular Formula

C₁₄H₁₃NO₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)

InChIKey

SGJFNRQZMRIAJP-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)sulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 66
Patents: 275.0616 Da
Monoisotopic Mass: 2.8
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]+	276.06888	160.1
[M+Na]+	298.05082	172.5
[M+NH4]+	293.09542	167.6
[M+K]+	314.02476	164.7
[M-H]-	274.05432	163.6
[M+Na-2H]-	296.03627	168.5
[M]+	275.06105	163.3
[M]-	275.06215	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe