CID 414214

25442-63-1

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂S

SMILES

CCN(CC)CCS(=O)(=O)C1=CC=C(C=C1)N

InChI

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

InChIKey

IIOQCVKROWUJNB-UHFFFAOYSA-N

Compound name

4-[2-(diethylamino)ethylsulfonyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 256.12454 Da
Monoisotopic Mass: 1.2
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	158.1
[M+Na]+	279.11376	164.2
[M-H]-	255.11726	162.3
[M+NH4]+	274.15836	175.4
[M+K]+	295.08770	161.5
[M+H-H2O]+	239.12180	151.0
[M+HCOO]-	301.12274	177.2
[M+CH3COO]-	315.13839	200.6
[M+Na-2H]-	277.09921	160.6
[M]+	256.12399	161.1
[M]-	256.12509	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe