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

4
Patents

321.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 177.3
[M+Na]+ 344.198478 180.2
[M-H]- 320.201984 179.7
[M+NH4]+ 339.243083 198.0
[M+K]+ 360.172418 175.9
[M+H-H2O]+ 304.206520 167.2
[M+HCOO]- 366.207461 190.5
[M+CH3COO]- 380.223111 186.0
[M+Na-2H]- 342.183926 186.3
[M]+ 321.20871142 181.4
[M]- 321.20980858 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