CID 202272

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

Structural Information

Molecular Formula
C22H25NO
SMILES
C1CCN(C1)CCOC23CCC(C4=CC=CC=C42)C5=CC=CC=C35
InChI
InChI=1S/C22H25NO/c1-3-9-20-18(7-1)17-11-12-22(20,21-10-4-2-8-19(17)21)24-16-15-23-13-5-6-14-23/h1-4,7-10,17H,5-6,11-16H2
InChIKey
OVCBCBYWXGNNKN-UHFFFAOYSA-N
Compound name
1-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20088 174.6
[M+Na]+ 342.18282 188.1
[M+NH4]+ 337.22742 188.0
[M+K]+ 358.15676 177.5
[M-H]- 318.18632 178.7
[M+Na-2H]- 340.16827 178.7
[M]+ 319.19305 178.1
[M]- 319.19415 178.1
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.