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]+ 300.23218 169.9
[M+Na]+ 322.21412 170.7
[M-H]- 298.21762 171.3
[M+NH4]+ 317.25872 191.2
[M+K]+ 338.18806 167.1
[M+H-H2O]+ 282.22216 160.3
[M+HCOO]- 344.22310 179.5
[M+CH3COO]- 358.23875 177.9
[M+Na-2H]- 320.19957 177.0
[M]+ 299.22435 169.0
[M]- 299.22545 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.