CID 203346

11-(2-piperidinoethoxy)methyl-9,10-dihydro-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C24H29NO
SMILES
C1CCN(CC1)CCOCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C24H29NO/c1-6-12-25(13-7-1)14-15-26-17-18-16-23-19-8-2-4-10-21(19)24(18)22-11-5-3-9-20(22)23/h2-5,8-11,18,23-24H,1,6-7,12-17H2
InChIKey
MTTMSOVEXXSSQM-UHFFFAOYSA-N
Compound name
1-[2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2249 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.232176 179.9
[M+Na]+ 370.214118 180.4
[M-H]- 346.217624 181.5
[M+NH4]+ 365.258723 195.1
[M+K]+ 386.188058 174.1
[M+H-H2O]+ 330.222160 167.8
[M+HCOO]- 392.223101 186.7
[M+CH3COO]- 406.238751 186.2
[M+Na-2H]- 368.199566 185.8
[M]+ 347.22435142 177.5
[M]- 347.22544858 177.5
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.