CID 200516

3-alpha-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)nortropane maleate

Structural Information

Molecular Formula
C22H25NO
SMILES
C1C[C@H]2CC(C[C@@H]1N2)OC3C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C22H25NO/c1-3-7-20-15(5-1)9-10-16-6-2-4-8-21(16)22(20)24-19-13-17-11-12-18(14-19)23-17/h1-8,17-19,22-23H,9-14H2/t17-,18+,19?
InChIKey
AKLCPXGQDSPXQD-DFNIBXOVSA-N
Compound name
(1R,5S)-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.1936 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20088 176.4
[M+Na]+ 342.18282 180.7
[M-H]- 318.18632 181.7
[M+NH4]+ 337.22742 192.8
[M+K]+ 358.15676 175.9
[M+H-H2O]+ 302.19086 169.8
[M+HCOO]- 364.19180 188.1
[M+CH3COO]- 378.20745 184.8
[M+Na-2H]- 340.16827 178.8
[M]+ 319.19305 168.5
[M]- 319.19415 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.