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 176.3
[M+Na]+ 346.17776 180.4
[M-H]- 322.18126 179.2
[M+NH4]+ 341.22236 197.2
[M+K]+ 362.15170 177.1
[M+H-H2O]+ 306.18580 166.5
[M+HCOO]- 368.18674 190.0
[M+CH3COO]- 382.20239 185.6
[M+Na-2H]- 344.16321 185.4
[M]+ 323.18799 182.0
[M]- 323.18909 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