CID 205837

1,2,3,4,4a,9,9a,10-octahydro-9-(2-(1-pyrrolidinyl)ethoxy)-9,10-ethanoanthracene hcl

Structural Information

Molecular Formula
C22H31NO
SMILES
C1CCC2C(C1)C3CCC2(C4=CC=CC=C34)OCCN5CCCC5
InChI
InChI=1S/C22H31NO/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/h1,3,7,9,17,19,21H,2,4-6,8,10-16H2
InChIKey
YDTOBDSTHOALTH-UHFFFAOYSA-N
Compound name
1-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.24057 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.247846 174.5
[M+Na]+ 348.229788 174.6
[M-H]- 324.233294 175.9
[M+NH4]+ 343.274393 194.3
[M+K]+ 364.203728 168.6
[M+H-H2O]+ 308.237830 163.4
[M+HCOO]- 370.238771 180.2
[M+CH3COO]- 384.254421 181.1
[M+Na-2H]- 346.215236 177.6
[M]+ 325.24002142 169.7
[M]- 325.24111858 169.7
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.