CID 205599

5,6,7,12-tetrahydro-6-((1-methyl-3-piperidyl)methyl)-dibenz(c,f)azocine dimaleate

Structural Information

Molecular Formula
C22H28N2
SMILES
CN1CCCC(C1)CN2CC3=CC=CC=C3CC4=CC=CC=C4C2
InChI
InChI=1S/C22H28N2/c1-23-12-6-7-18(14-23)15-24-16-21-10-4-2-8-19(21)13-20-9-3-5-11-22(20)17-24/h2-5,8-11,18H,6-7,12-17H2,1H3
InChIKey
FBCCJWSZBWEKPJ-UHFFFAOYSA-N
Compound name
11-[(1-methylpiperidin-3-yl)methyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22525 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23253 171.9
[M+Na]+ 343.21447 175.3
[M-H]- 319.21797 173.6
[M+NH4]+ 338.25907 177.7
[M+K]+ 359.18841 173.1
[M+H-H2O]+ 303.22251 165.7
[M+HCOO]- 365.22345 177.1
[M+CH3COO]- 379.23910 174.5
[M+Na-2H]- 341.19992 170.6
[M]+ 320.22470 168.9
[M]- 320.22580 168.9
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.