CID 203890

9,10-ethanoanthracene, 9,10-dihydro-9-(2-(diethylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula
C22H27NO
SMILES
CCN(CC)CCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C22H27NO/c1-3-23(4-2)15-16-24-22-14-13-17(18-9-5-7-11-20(18)22)19-10-6-8-12-21(19)22/h5-12,17H,3-4,13-16H2,1-2H3
InChIKey
YIDZKADKXOPIDV-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 177.3
[M+Na]+ 344.19848 180.2
[M-H]- 320.20198 179.7
[M+NH4]+ 339.24308 198.0
[M+K]+ 360.17242 175.9
[M+H-H2O]+ 304.20652 167.2
[M+HCOO]- 366.20746 190.5
[M+CH3COO]- 380.22311 186.0
[M+Na-2H]- 342.18393 186.3
[M]+ 321.20871 181.4
[M]- 321.20981 181.4
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