CID 73894736

C.i. solvent black 7

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₄S

SMILES

CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCO

InChI

InChI=1S/C14H22N2O4S/c1-2-3-4-5-14(18)16-12-6-8-13(9-7-12)21(19,20)15-10-11-17/h6-9,15,17H,2-5,10-11H2,1H3,(H,16,18)

InChIKey

ZOTFNDQLJIXYRU-UHFFFAOYSA-N

Compound name

N-[4-(2-hydroxyethylsulfamoyl)phenyl]hexanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 314.13004 Da
Monoisotopic Mass: 1.3
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]+	315.137316	171.6
[M+Na]+	337.119258	175.9
[M-H]-	313.122764	173.0
[M+NH4]+	332.163863	185.0
[M+K]+	353.093198	171.8
[M+H-H2O]+	297.127300	164.2
[M+HCOO]-	359.128241	188.4
[M+CH3COO]-	373.143891	205.2
[M+Na-2H]-	335.104706	173.9
[M]+	314.12949142	174.6
[M]-	314.13058858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.