CID 2398130

730976-75-7

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂S

SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3

InChIKey

UIJPDEFOQMIKFK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 268.12454 Da
Monoisotopic Mass: 1.5
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]+	269.131816	161.0
[M+Na]+	291.113758	166.2
[M-H]-	267.117264	162.8
[M+NH4]+	286.158363	174.1
[M+K]+	307.087698	161.9
[M+H-H2O]+	251.121800	153.3
[M+HCOO]-	313.122741	170.4
[M+CH3COO]-	327.138391	191.5
[M+Na-2H]-	289.099206	162.3
[M]+	268.12399142	157.6
[M]-	268.12508858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe