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

0
Patents

333.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21654 176.6
[M+Na]+ 356.19848 178.1
[M-H]- 332.20198 178.4
[M+NH4]+ 351.24308 194.2
[M+K]+ 372.17242 171.9
[M+H-H2O]+ 316.20652 163.8
[M+HCOO]- 378.20746 183.9
[M+CH3COO]- 392.22311 183.4
[M+Na-2H]- 354.18393 184.3
[M]+ 333.20871 173.9
[M]- 333.20981 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