CID 28381

Ethylamine, 2-((2-methoxy-9,10-ethanoanthracen-9(10h)-yl)oxy)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
CN(C)CCOC12CCC(C3=C1C=C(C=C3)OC)C4=CC=CC=C24
InChI
InChI=1S/C21H25NO2/c1-22(2)12-13-24-21-11-10-16(17-6-4-5-7-19(17)21)18-9-8-15(23-3)14-20(18)21/h4-9,14,16H,10-13H2,1-3H3
InChIKey
GXCAOCMVPGGWDO-UHFFFAOYSA-N
Compound name
2-[(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 173.9
[M+Na]+ 346.17776 187.5
[M+NH4]+ 341.22236 186.7
[M+K]+ 362.15170 176.0
[M-H]- 322.18126 177.5
[M+Na-2H]- 344.16321 177.9
[M]+ 323.18799 177.3
[M]- 323.18909 177.3
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.