CID 567261

21623-68-7

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂S

SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H17N3O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3

InChIKey

YEKKOBZSGMPECJ-UHFFFAOYSA-N

Compound name

4-(4-methylpiperazin-1-yl)sulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 128
Patents: 255.10414 Da
Monoisotopic Mass: 0.2
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]+	256.11142	156.7
[M+Na]+	278.09336	163.6
[M-H]-	254.09686	160.0
[M+NH4]+	273.13796	170.9
[M+K]+	294.06730	159.5
[M+H-H2O]+	238.10140	148.9
[M+HCOO]-	300.10234	169.7
[M+CH3COO]-	314.11799	192.7
[M+Na-2H]-	276.07881	159.4
[M]+	255.10359	153.7
[M]-	255.10469	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe