CID 202274

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

Structural Information

Molecular Formula
C23H27NO
SMILES
C1CCN(CC1)CCOC23CCC(C4=CC=CC=C42)C5=CC=CC=C35
InChI
InChI=1S/C23H27NO/c1-6-14-24(15-7-1)16-17-25-23-13-12-18(19-8-2-4-10-21(19)23)20-9-3-5-11-22(20)23/h2-5,8-11,18H,1,6-7,12-17H2
InChIKey
ONAIZKNAYXPOBM-UHFFFAOYSA-N
Compound name
1-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

333.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.216536 176.6
[M+Na]+ 356.198478 178.1
[M-H]- 332.201984 178.4
[M+NH4]+ 351.243083 194.2
[M+K]+ 372.172418 171.9
[M+H-H2O]+ 316.206520 163.8
[M+HCOO]- 378.207461 183.9
[M+CH3COO]- 392.223111 183.4
[M+Na-2H]- 354.183926 184.3
[M]+ 333.20871142 173.9
[M]- 333.20980858 173.9
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

patents stripe