CID 3051272

1-((5h-dibenzo(a,d)cyclohepten-5-yl)sulfonyl)piperidine

Structural Information

Molecular Formula

C₂₀H₂₁NO₂S

SMILES

C1CCN(CC1)S(=O)(=O)C2C3=CC=CC=C3C=CC4=CC=CC=C24

InChI

InChI=1S/C20H21NO2S/c22-24(23,21-14-6-1-7-15-21)20-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)20/h2-5,8-13,20H,1,6-7,14-15H2

InChIKey

RLYILTKOLIGJEA-UHFFFAOYSA-N

Compound name

1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylsulfonyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.1293 Da
Monoisotopic Mass: 4.0
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]+	340.136576	180.6
[M+Na]+	362.118518	185.7
[M-H]-	338.122024	187.5
[M+NH4]+	357.163123	193.9
[M+K]+	378.092458	184.1
[M+H-H2O]+	322.126560	173.9
[M+HCOO]-	384.127501	191.0
[M+CH3COO]-	398.143151	189.4
[M+Na-2H]-	360.103966	184.8
[M]+	339.12875142	176.4
[M]-	339.12984858	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.