CID 3061823

P-(dipentylsulfamoyl)benzoic acid

Structural Information

Molecular Formula

C₁₇H₂₇NO₄S

SMILES

CCCCCN(CCCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C17H27NO4S/c1-3-5-7-13-18(14-8-6-4-2)23(21,22)16-11-9-15(10-12-16)17(19)20/h9-12H,3-8,13-14H2,1-2H3,(H,19,20)

InChIKey

YJHBQZUBRNHJFV-UHFFFAOYSA-N

Compound name

4-(dipentylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 341.16608 Da
Monoisotopic Mass: 5.0
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]+	342.173356	181.4
[M+Na]+	364.155298	185.4
[M-H]-	340.158804	183.9
[M+NH4]+	359.199903	194.8
[M+K]+	380.129238	182.2
[M+H-H2O]+	324.163340	173.9
[M+HCOO]-	386.164281	196.7
[M+CH3COO]-	400.179931	212.8
[M+Na-2H]-	362.140746	181.0
[M]+	341.16553142	187.7
[M]-	341.16662858	187.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.