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 173.8
[M+Na]+ 358.17776 175.8
[M-H]- 334.18126 176.5
[M+NH4]+ 353.22236 190.0
[M+K]+ 374.15170 171.8
[M+H-H2O]+ 318.18580 161.1
[M+HCOO]- 380.18674 180.7
[M+CH3COO]- 394.20239 181.2
[M+Na-2H]- 356.16321 182.8
[M]+ 335.18799 172.9
[M]- 335.18909 172.9
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