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

3
Patents

323.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 176.3
[M+Na]+ 346.177758 180.4
[M-H]- 322.181264 179.2
[M+NH4]+ 341.222363 197.2
[M+K]+ 362.151698 177.1
[M+H-H2O]+ 306.185800 166.5
[M+HCOO]- 368.186741 190.0
[M+CH3COO]- 382.202391 185.6
[M+Na-2H]- 344.163206 185.4
[M]+ 323.18799142 182.0
[M]- 323.18908858 182.0
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