CID 202375

10256-77-6

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCN(C)C

InChI

InChI=1S/C12H20N2O2S/c1-11-5-7-12(8-6-11)17(15,16)13-9-4-10-14(2)3/h5-8,13H,4,9-10H2,1-3H3

InChIKey

MFLRGXNDNKRSKU-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 256.12454 Da
Monoisotopic Mass: 1.6
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]+	257.13182	159.1
[M+Na]+	279.11376	168.5
[M+NH4]+	274.15836	166.3
[M+K]+	295.08770	161.3
[M-H]-	255.11726	161.2
[M+Na-2H]-	277.09921	164.4
[M]+	256.12399	161.3
[M]-	256.12509	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe