CID 205599

Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-((1-methyl-3-piperidyl)methyl)-, maleate (1:2)

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]+ 321.232526 171.9
[M+Na]+ 343.214468 175.3
[M-H]- 319.217974 173.6
[M+NH4]+ 338.259073 177.7
[M+K]+ 359.188408 173.1
[M+H-H2O]+ 303.222510 165.7
[M+HCOO]- 365.223451 177.1
[M+CH3COO]- 379.239101 174.5
[M+Na-2H]- 341.199916 170.6
[M]+ 320.22470142 168.9
[M]- 320.22579858 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.