CID 85422

N-(3-methoxyphenyl)-n,4-dimethylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₅H₁₇NO₃S

SMILES

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

InChI

InChI=1S/C15H17NO3S/c1-12-7-9-15(10-8-12)20(17,18)16(2)13-5-4-6-14(11-13)19-3/h4-11H,1-3H3

InChIKey

LLRVCLHTBSMJPE-UHFFFAOYSA-N

Compound name

N-(3-methoxyphenyl)-N,4-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.09293 Da
Monoisotopic Mass: 3.0
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]+	292.100206	164.5
[M+Na]+	314.082148	172.6
[M-H]-	290.085654	173.1
[M+NH4]+	309.126753	180.9
[M+K]+	330.056088	169.7
[M+H-H2O]+	274.090190	156.8
[M+HCOO]-	336.091131	184.3
[M+CH3COO]-	350.106781	204.3
[M+Na-2H]-	312.067596	168.4
[M]+	291.09238142	169.8
[M]-	291.09347858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.