CID 23288834

2094312-13-5

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂S

SMILES

CNS(=O)(=O)C1=CC=C(C=C1)N2CCNCC2

InChI

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

InChIKey

PVSHWHPCBYJIBV-UHFFFAOYSA-N

Compound name

N-methyl-4-piperazin-1-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 255.10414 Da
Monoisotopic Mass: 0.1
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	156.1
[M+Na]+	278.09336	161.6
[M-H]-	254.09686	158.0
[M+NH4]+	273.13796	169.4
[M+K]+	294.06730	156.9
[M+H-H2O]+	238.10140	148.2
[M+HCOO]-	300.10234	168.2
[M+CH3COO]-	314.11799	189.7
[M+Na-2H]-	276.07881	160.0
[M]+	255.10359	151.8
[M]-	255.10469	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe