CID 203971

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

Structural Information

Molecular Formula
C19H21NO
SMILES
CNCCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C19H21NO/c1-20-12-13-21-19-11-10-14(15-6-2-4-8-17(15)19)16-7-3-5-9-18(16)19/h2-9,14,20H,10-13H2,1H3
InChIKey
OESKMDLMHPAIMQ-UHFFFAOYSA-N
Compound name
N-methyl-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

279.16232 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.169596 162.2
[M+Na]+ 302.151538 166.6
[M-H]- 278.155044 164.0
[M+NH4]+ 297.196143 184.2
[M+K]+ 318.125478 161.6
[M+H-H2O]+ 262.159580 153.0
[M+HCOO]- 324.160521 176.2
[M+CH3COO]- 338.176171 171.9
[M+Na-2H]- 300.136986 173.9
[M]+ 279.16177142 164.5
[M]- 279.16286858 164.5
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