CID 208847

Ditolamide

Structural Information

Molecular Formula

C₁₃H₂₁NO₂S

SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H21NO2S/c1-4-10-14(11-5-2)17(15,16)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3

InChIKey

AUUADVNHIYKUBA-UHFFFAOYSA-N

Compound name

4-methyl-N,N-dipropylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 60
Patents: 255.1293 Da
Monoisotopic Mass: 4.0
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]+	256.136576	158.1
[M+Na]+	278.118518	164.8
[M-H]-	254.122024	163.0
[M+NH4]+	273.163123	176.2
[M+K]+	294.092458	162.4
[M+H-H2O]+	238.126560	151.4
[M+HCOO]-	300.127501	176.7
[M+CH3COO]-	314.143151	199.3
[M+Na-2H]-	276.103966	160.7
[M]+	255.12875142	163.4
[M]-	255.12984858	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe