CID 3051226

Piperazine, 1-((5h-dibenzo(a,d)cyclohepten-5-yl)sulfonyl)-4-methyl-

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂S

SMILES

CN1CCN(CC1)S(=O)(=O)C2C3=CC=CC=C3CCC4=CC=CC=C24

InChI

InChI=1S/C20H24N2O2S/c1-21-12-14-22(15-13-21)25(23,24)20-18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)20/h2-9,20H,10-15H2,1H3

InChIKey

ABJBXGUBXHNMKN-UHFFFAOYSA-N

Compound name

1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.15585 Da
Monoisotopic Mass: 2.8
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]+	357.163126	185.5
[M+Na]+	379.145068	190.5
[M-H]-	355.148574	191.0
[M+NH4]+	374.189673	197.0
[M+K]+	395.119008	189.0
[M+H-H2O]+	339.153110	177.4
[M+HCOO]-	401.154051	193.3
[M+CH3COO]-	415.169701	193.4
[M+Na-2H]-	377.130516	188.2
[M]+	356.15530142	180.9
[M]-	356.15639858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.