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

2
Patents

293.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 168.0
[M+Na]+ 316.16720 171.9
[M-H]- 292.17070 170.8
[M+NH4]+ 311.21180 189.9
[M+K]+ 332.14114 167.9
[M+H-H2O]+ 276.17524 158.3
[M+HCOO]- 338.17618 182.0
[M+CH3COO]- 352.19183 177.7
[M+Na-2H]- 314.15265 178.1
[M]+ 293.17743 171.5
[M]- 293.17853 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