CID 203894

9,10-ethanoanthracene, 9,10-dihydro-9-(2-morpholinoethoxy)-, hydrochloride

Structural Information

Molecular Formula
C22H25NO2
SMILES
C1CC2(C3=CC=CC=C3C1C4=CC=CC=C42)OCCN5CCOCC5
InChI
InChI=1S/C22H25NO2/c1-3-7-20-18(5-1)17-9-10-22(20,21-8-4-2-6-19(17)21)25-16-13-23-11-14-24-15-12-23/h1-8,17H,9-16H2
InChIKey
NURDTBJREYTZCQ-UHFFFAOYSA-N
Compound name
4-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 178.9
[M+Na]+ 358.17776 193.4
[M+NH4]+ 353.22236 191.8
[M+K]+ 374.15170 181.3
[M-H]- 334.18126 184.6
[M+Na-2H]- 356.16321 183.0
[M]+ 335.18799 183.1
[M]- 335.18909 183.1
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.