CID 205549

5,6,7,12-tetrahydro-6-(2-(1-methyl-2-piperidyl)ethyl)-dibenz(c,f)azocine dimaleate

Structural Information

Molecular Formula
C23H30N2
SMILES
CN1CCCCC1CCN2CC3=CC=CC=C3CC4=CC=CC=C4C2
InChI
InChI=1S/C23H30N2/c1-24-14-7-6-12-23(24)13-15-25-17-21-10-4-2-8-19(21)16-20-9-3-5-11-22(20)18-25/h2-5,8-11,23H,6-7,12-18H2,1H3
InChIKey
IICYSZHKLQDMIP-UHFFFAOYSA-N
Compound name
11-[2-(1-methylpiperidin-2-yl)ethyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24818 174.1
[M+Na]+ 357.23012 177.3
[M-H]- 333.23362 175.7
[M+NH4]+ 352.27472 179.6
[M+K]+ 373.20406 175.0
[M+H-H2O]+ 317.23816 167.8
[M+HCOO]- 379.23910 179.1
[M+CH3COO]- 393.25475 176.5
[M+Na-2H]- 355.21557 172.6
[M]+ 334.24035 171.2
[M]- 334.24145 171.2
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.