CID 788726

314285-39-7

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂S

SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H18N2O2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-5,10H,6-9,13H2,1H3

InChIKey

NTUKRLPMKLQAAE-UHFFFAOYSA-N

Compound name

4-(4-methylpiperidin-1-yl)sulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 254.1089 Da
Monoisotopic Mass: 1.7
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]+	255.11618	156.0
[M+Na]+	277.09812	166.6
[M+NH4]+	272.14272	163.6
[M+K]+	293.07206	159.4
[M-H]-	253.10162	158.9
[M+Na-2H]-	275.08357	162.0
[M]+	254.10835	158.6
[M]-	254.10945	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe