CID 29266

Ethylamine, 2-(9,10-ethanoanthracen-9(10h)-yloxy)-n,n-dimethyl-, n-oxide, hydrochloride

Structural Information

Molecular Formula
C20H24NO2
SMILES
C[N+](C)(CCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)O
InChI
InChI=1S/C20H24NO2/c1-21(2,22)13-14-23-20-12-11-15(16-7-3-5-9-18(16)20)17-8-4-6-10-19(17)20/h3-10,15,22H,11-14H2,1-2H3/q+1
InChIKey
ZBJDTADBKJQKRG-UHFFFAOYSA-N
Compound name
hydroxy-dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1807 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18798 172.2
[M+Na]+ 333.16992 175.8
[M-H]- 309.17342 174.1
[M+NH4]+ 328.21452 192.7
[M+K]+ 349.14386 166.4
[M+H-H2O]+ 293.17796 166.1
[M+HCOO]- 355.17890 183.8
[M+CH3COO]- 369.19455 207.9
[M+Na-2H]- 331.15537 186.5
[M]+ 310.18015 174.3
[M]- 310.18125 174.3
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.