CID 4118076

N-benzyl-n-nitroso-p-toluenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O

InChI

InChI=1S/C14H14N2O3S/c1-12-7-9-14(10-8-12)20(18,19)16(15-17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChIKey

ZXELPGWSCCGNDS-UHFFFAOYSA-N

Compound name

N-benzyl-4-methyl-N-nitrosobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 290.0725 Da
Monoisotopic Mass: 2.6
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]+	291.07978	163.5
[M+Na]+	313.06172	175.6
[M+NH4]+	308.10632	171.1
[M+K]+	329.03566	167.6
[M-H]-	289.06522	168.2
[M+Na-2H]-	311.04717	172.8
[M]+	290.07195	167.0
[M]-	290.07305	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe