CID 204037

3-alpha-((5,6,7,12-tetrahydrodibenzo(a,d)cycloocten-2-yl)oxy)tropane fumarate

Structural Information

Molecular Formula
C24H29NO
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC3C4=CC=CC=C4CCCC5=CC=CC=C35
InChI
InChI=1S/C24H29NO/c1-25-19-13-14-20(25)16-21(15-19)26-24-22-11-4-2-7-17(22)9-6-10-18-8-3-5-12-23(18)24/h2-5,7-8,11-12,19-21,24H,6,9-10,13-16H2,1H3/t19-,20+,21?
InChIKey
GOGALEUHDZLDRJ-WCRBZPEASA-N
Compound name
(1R,5S)-8-methyl-3-(2-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenyloxy)-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.232176 185.0
[M+Na]+ 370.214118 188.4
[M-H]- 346.217624 187.1
[M+NH4]+ 365.258723 192.2
[M+K]+ 386.188058 185.9
[M+H-H2O]+ 330.222160 179.2
[M+HCOO]- 392.223101 189.6
[M+CH3COO]- 406.238751 187.1
[M+Na-2H]- 368.199566 181.6
[M]+ 347.22435142 182.5
[M]- 347.22544858 182.5
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

No patent data available for this compound.