CID 28377

Ethylamine, 2-(3-chloro-9,10-ethanoanthracen-9(10h)-yloxy)-n,n,1-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C21H24ClNO
SMILES
CC1=CC(=CC2=C1C3(CCC2C4=CC=CC=C43)OCCN(C)C)Cl
InChI
InChI=1S/C21H24ClNO/c1-14-12-15(22)13-18-16-8-9-21(20(14)18,24-11-10-23(2)3)19-7-5-4-6-17(16)19/h4-7,12-13,16H,8-11H2,1-3H3
InChIKey
KBIWTDJCDSXDCG-UHFFFAOYSA-N
Compound name
2-[(5-chloro-3-methyl-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

341.15463 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16191 176.3
[M+Na]+ 364.14385 191.7
[M+NH4]+ 359.18845 190.0
[M+K]+ 380.11779 179.0
[M-H]- 340.14735 180.6
[M+Na-2H]- 362.12930 180.8
[M]+ 341.15408 180.6
[M]- 341.15518 180.6
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.