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]+ 348.23218 179.9
[M+Na]+ 370.21412 180.4
[M-H]- 346.21762 181.5
[M+NH4]+ 365.25872 195.1
[M+K]+ 386.18806 174.1
[M+H-H2O]+ 330.22216 167.8
[M+HCOO]- 392.22310 186.7
[M+CH3COO]- 406.23875 186.2
[M+Na-2H]- 368.19957 185.8
[M]+ 347.22435 177.5
[M]- 347.22545 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.