CID 3695958

1171234-46-0

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂S

SMILES

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

InChI

InChI=1S/C14H22N2O2S/c1-3-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15-9-11-16/h4-7,12,15H,3,8-11H2,1-2H3

InChIKey

GWJIWGHMZOHUCS-UHFFFAOYSA-N

Compound name

1-(4-butan-2-ylphenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 282.1402 Da
Monoisotopic Mass: 2.1
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]+	283.147476	165.2
[M+Na]+	305.129418	170.0
[M-H]-	281.132924	166.9
[M+NH4]+	300.174023	177.8
[M+K]+	321.103358	165.5
[M+H-H2O]+	265.137460	157.4
[M+HCOO]-	327.138401	174.4
[M+CH3COO]-	341.154051	194.5
[M+Na-2H]-	303.114866	166.1
[M]+	282.13965142	162.2
[M]-	282.14074858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe