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]+ 320.200876 176.4
[M+Na]+ 342.182818 180.7
[M-H]- 318.186324 181.7
[M+NH4]+ 337.227423 192.8
[M+K]+ 358.156758 175.9
[M+H-H2O]+ 302.190860 169.8
[M+HCOO]- 364.191801 188.1
[M+CH3COO]- 378.207451 184.8
[M+Na-2H]- 340.168266 178.8
[M]+ 319.19305142 168.5
[M]- 319.19414858 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.