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 181.0
[M+Na]+ 364.14385 187.1
[M-H]- 340.14735 184.1
[M+NH4]+ 359.18845 202.5
[M+K]+ 380.11779 181.7
[M+H-H2O]+ 324.15189 172.5
[M+HCOO]- 386.15283 190.2
[M+CH3COO]- 400.16848 190.4
[M+Na-2H]- 362.12930 188.7
[M]+ 341.15408 188.0
[M]- 341.15518 188.0
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

No patent data available for this compound.