CID 1082293

Cbmicro_012058

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₄S

SMILES

CCC1=CC=CC=C1N(CC(=O)NC2=CC(=CC=C2)OC)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O4S/c1-4-14-8-5-6-11-17(14)20(25(3,22)23)13-18(21)19-15-9-7-10-16(12-15)24-2/h5-12H,4,13H2,1-3H3,(H,19,21)

InChIKey

BEHNYWOOBNQPQJ-UHFFFAOYSA-N

Compound name

2-(2-ethyl-N-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 362.13004 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]+	363.137316	184.1
[M+Na]+	385.119258	189.5
[M-H]-	361.122764	191.9
[M+NH4]+	380.163863	196.8
[M+K]+	401.093198	186.6
[M+H-H2O]+	345.127300	175.3
[M+HCOO]-	407.128241	203.1
[M+CH3COO]-	421.143891	219.8
[M+Na-2H]-	383.104706	186.4
[M]+	362.12949142	189.6
[M]-	362.13058858	189.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.