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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13658 180.6
[M+Na]+ 362.11852 185.7
[M-H]- 338.12202 187.5
[M+NH4]+ 357.16312 193.9
[M+K]+ 378.09246 184.1
[M+H-H2O]+ 322.12656 173.9
[M+HCOO]- 384.12750 191.0
[M+CH3COO]- 398.14315 189.4
[M+Na-2H]- 360.10397 184.8
[M]+ 339.12875 176.4
[M]- 339.12985 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.