CID 39752

Mesylphenacyrazine

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₃S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S/c1-25(23,24)18-9-7-16(8-10-18)19(22)15-20-11-13-21(14-12-20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3

InChIKey

FFABLTPFQJVMGG-UHFFFAOYSA-N

Compound name

1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 358.1351 Da
Monoisotopic Mass: 2.5
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]+	359.142376	183.8
[M+Na]+	381.124318	189.0
[M-H]-	357.127824	189.8
[M+NH4]+	376.168923	193.3
[M+K]+	397.098258	183.7
[M+H-H2O]+	341.132360	173.9
[M+HCOO]-	403.133301	194.5
[M+CH3COO]-	417.148951	210.4
[M+Na-2H]-	379.109766	184.7
[M]+	358.13455142	182.6
[M]-	358.13564858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe