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 178.9
[M+Na]+ 341.19882 184.7
[M-H]- 317.20232 184.4
[M+NH4]+ 336.24342 195.0
[M+K]+ 357.17276 179.7
[M+H-H2O]+ 301.20686 170.5
[M+HCOO]- 363.20780 190.5
[M+CH3COO]- 377.22345 187.6
[M+Na-2H]- 339.18427 180.5
[M]+ 318.20905 172.1
[M]- 318.21015 172.1
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.