CID 205549

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

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]+ 335.248176 174.1
[M+Na]+ 357.230118 177.3
[M-H]- 333.233624 175.7
[M+NH4]+ 352.274723 179.6
[M+K]+ 373.204058 175.0
[M+H-H2O]+ 317.238160 167.8
[M+HCOO]- 379.239101 179.1
[M+CH3COO]- 393.254751 176.5
[M+Na-2H]- 355.215566 172.6
[M]+ 334.24035142 171.2
[M]- 334.24144858 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.