CID 2758389

1-(2,5-dimethoxybenzenesulfonyl)piperazine

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄S

SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C12H18N2O4S/c1-17-10-3-4-11(18-2)12(9-10)19(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3

InChIKey

CTLQZVODPMGFBU-UHFFFAOYSA-N

Compound name

1-(2,5-dimethoxyphenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 286.09872 Da
Monoisotopic Mass: 0.4
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]+	287.10600	163.4
[M+Na]+	309.08794	169.7
[M-H]-	285.09144	165.6
[M+NH4]+	304.13254	175.9
[M+K]+	325.06188	166.3
[M+H-H2O]+	269.09598	155.5
[M+HCOO]-	331.09692	174.6
[M+CH3COO]-	345.11257	193.2
[M+Na-2H]-	307.07339	165.9
[M]+	286.09817	163.4
[M]-	286.09927	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe