CID 29258

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

Structural Information

Molecular Formula
C20H22ClNO
SMILES
CN(C)CCOC12CCC(C3=CC=CC=C31)C4=C2C=CC(=C4)Cl
InChI
InChI=1S/C20H22ClNO/c1-22(2)11-12-23-20-10-9-15(16-5-3-4-6-18(16)20)17-13-14(21)7-8-19(17)20/h3-8,13,15H,9-12H2,1-2H3
InChIKey
SZSDEYTWVGYZEP-UHFFFAOYSA-N
Compound name
2-[(5-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

0
Patents

327.13898 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14626 175.7
[M+Na]+ 350.12820 181.4
[M-H]- 326.13170 178.6
[M+NH4]+ 345.17280 197.4
[M+K]+ 366.10214 176.1
[M+H-H2O]+ 310.13624 167.2
[M+HCOO]- 372.13718 185.3
[M+CH3COO]- 386.15283 185.3
[M+Na-2H]- 348.11365 184.6
[M]+ 327.13843 182.0
[M]- 327.13953 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