CID 710597

1-(mesitylsulfonyl)-4-phenylpiperazine

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₂S

SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H24N2O2S/c1-15-13-16(2)19(17(3)14-15)24(22,23)21-11-9-20(10-12-21)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3

InChIKey

BVAYZVVKMGUPOB-UHFFFAOYSA-N

Compound name

1-phenyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 344.15585 Da
Monoisotopic Mass: 3.8
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]+	345.163126	182.0
[M+Na]+	367.145068	189.4
[M-H]-	343.148574	188.8
[M+NH4]+	362.189673	193.1
[M+K]+	383.119008	183.5
[M+H-H2O]+	327.153110	172.5
[M+HCOO]-	389.154051	193.3
[M+CH3COO]-	403.169701	210.6
[M+Na-2H]-	365.130516	182.2
[M]+	344.15530142	181.6
[M]-	344.15639858	181.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.