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

2
Patents

319.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.200876 171.9
[M+Na]+ 342.182818 175.1
[M-H]- 318.186324 174.8
[M+NH4]+ 337.227423 192.4
[M+K]+ 358.156758 168.8
[M+H-H2O]+ 302.190860 160.9
[M+HCOO]- 364.191801 182.1
[M+CH3COO]- 378.207451 180.3
[M+Na-2H]- 340.168266 178.2
[M]+ 319.19305142 171.5
[M]- 319.19414858 171.5
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