CID 3056341

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

Structural Information

Molecular Formula
C22H26N2
SMILES
CN1C2CCC1CC(C2)C3C4=C(CCC5=CC=CC=C35)N=CC=C4
InChI
InChI=1S/C22H26N2/c1-24-17-9-10-18(24)14-16(13-17)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
InChIKey
YBEHMXGCWFECNP-UHFFFAOYSA-N
Compound name
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-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

318.2096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 179.5
[M+Na]+ 341.19882 191.6
[M+NH4]+ 336.24342 189.3
[M+K]+ 357.17276 184.9
[M-H]- 317.20232 183.9
[M+Na-2H]- 339.18427 183.3
[M]+ 318.20905 182.7
[M]- 318.21015 182.7
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.