CID 209178

10,11-dihydro-5-(3-alpha-tropanyloxy)-5h-benzo(4,5)cyclohepta(1,2-b)pyridine

Structural Information

Molecular Formula
C22H26N2O
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC3C4=C(CCC5=CC=CC=C35)N=CC=C4
InChI
InChI=1S/C22H26N2O/c1-24-16-9-10-17(24)14-18(13-16)25-22-19-6-3-2-5-15(19)8-11-21-20(22)7-4-12-23-21/h2-7,12,16-18,22H,8-11,13-14H2,1H3/t16-,17+,18?,22?
InChIKey
BEGNZKAMDBZKQS-RPIYSHSISA-N
Compound name
2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 181.9
[M+Na]+ 357.19372 187.4
[M-H]- 333.19722 187.4
[M+NH4]+ 352.23832 197.2
[M+K]+ 373.16766 183.2
[M+H-H2O]+ 317.20176 173.4
[M+HCOO]- 379.20270 193.6
[M+CH3COO]- 393.21835 190.3
[M+Na-2H]- 355.17917 183.6
[M]+ 334.20395 176.4
[M]- 334.20505 176.4
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.