CID 9207811

1-(3,4-diethoxybenzenesulfonyl)piperazine

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₄S

SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)OCC

InChI

InChI=1S/C14H22N2O4S/c1-3-19-13-6-5-12(11-14(13)20-4-2)21(17,18)16-9-7-15-8-10-16/h5-6,11,15H,3-4,7-10H2,1-2H3

InChIKey

MRAVYVYLNSSEPX-UHFFFAOYSA-N

Compound name

1-(3,4-diethoxyphenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.13004 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]+	315.137316	171.9
[M+Na]+	337.119258	177.3
[M-H]-	313.122764	173.6
[M+NH4]+	332.163863	183.2
[M+K]+	353.093198	173.4
[M+H-H2O]+	297.127300	163.6
[M+HCOO]-	359.128241	182.4
[M+CH3COO]-	373.143891	199.1
[M+Na-2H]-	335.104706	173.4
[M]+	314.12949142	172.6
[M]-	314.13058858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.