CID 203932

9,10-ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula
C20H23NO
SMILES
CN(C)CCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C20H23NO/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/h3-10,15H,11-14H2,1-2H3
InChIKey
BMEJDSKPKWRVGF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

293.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 168.0
[M+Na]+ 316.167198 171.9
[M-H]- 292.170704 170.8
[M+NH4]+ 311.211803 189.9
[M+K]+ 332.141138 167.9
[M+H-H2O]+ 276.175240 158.3
[M+HCOO]- 338.176181 182.0
[M+CH3COO]- 352.191831 177.7
[M+Na-2H]- 314.152646 178.1
[M]+ 293.17743142 171.5
[M]- 293.17852858 171.5
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

patents stripe