CID 29260

Ethylamine, 2-(2-chloro-9,10-ethanoanthracen-9(10h)-yloxy)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C20H22ClNO
SMILES
CN(C)CCOC12CCC(C3=C1C=C(C=C3)Cl)C4=CC=CC=C24
InChI
InChI=1S/C20H22ClNO/c1-22(2)11-12-23-20-10-9-15(16-5-3-4-6-18(16)20)17-8-7-14(21)13-19(17)20/h3-8,13,15H,9-12H2,1-2H3
InChIKey
XXKIDPNFTPYZHV-UHFFFAOYSA-N
Compound name
2-[(4-chloro-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

5
Patents

327.13898 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.146256 175.7
[M+Na]+ 350.128198 181.4
[M-H]- 326.131704 178.6
[M+NH4]+ 345.172803 197.4
[M+K]+ 366.102138 176.1
[M+H-H2O]+ 310.136240 167.2
[M+HCOO]- 372.137181 185.3
[M+CH3COO]- 386.152831 185.3
[M+Na-2H]- 348.113646 184.6
[M]+ 327.13843142 182.0
[M]- 327.13952858 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