CID 2384617

524711-33-9

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂S

SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C12H18N2O2S/c1-10-3-4-11(2)12(9-10)17(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3

InChIKey

UNCDXZPJNCWORR-UHFFFAOYSA-N

Compound name

1-(2,5-dimethylphenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6
Patents: 254.1089 Da
Monoisotopic Mass: 1.1
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]+	255.11618	157.2
[M+Na]+	277.09812	168.7
[M+NH4]+	272.14272	164.4
[M+K]+	293.07206	161.3
[M-H]-	253.10162	158.7
[M+Na-2H]-	275.08357	162.8
[M]+	254.10835	159.6
[M]-	254.10945	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe