CID 28379

1,2,3,4,4a,9,9a,10-octahydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C20H29NO
SMILES
CN(C)CCOC12CCC(C3C1CCCC3)C4=CC=CC=C24
InChI
InChI=1S/C20H29NO/c1-21(2)13-14-22-20-12-11-15(16-7-3-5-9-18(16)20)17-8-4-6-10-19(17)20/h3,5,7,9,15,17,19H,4,6,8,10-14H2,1-2H3
InChIKey
IXISOFCFAQQQGT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2249 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.232176 169.9
[M+Na]+ 322.214118 170.7
[M-H]- 298.217624 171.3
[M+NH4]+ 317.258723 191.2
[M+K]+ 338.188058 167.1
[M+H-H2O]+ 282.222160 160.3
[M+HCOO]- 344.223101 179.5
[M+CH3COO]- 358.238751 177.9
[M+Na-2H]- 320.199566 177.0
[M]+ 299.22435142 169.0
[M]- 299.22544858 169.0
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.