CID 207484

6-(1-methyl-3-piperidylmethyl)-5,7,12,13-tetrahydro-6h-dibenz(c,g)azonine hydrochloride

Structural Information

Molecular Formula

C₂₃H₃₀N₂

SMILES

CN1CCCC(C1)CN2CC3=CC=CC=C3CCC4=CC=CC=C4C2

InChI

InChI=1S/C23H30N2/c1-24-14-6-7-19(15-24)16-25-17-22-10-4-2-8-20(22)12-13-21-9-3-5-11-23(21)18-25/h2-5,8-11,19H,6-7,12-18H2,1H3

InChIKey

UYETULZEPUACKA-UHFFFAOYSA-N

Compound name

6-[(1-methylpiperidin-3-yl)methyl]-5,7,12,13-tetrahydrobenzo[d][2]benzazonine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 334.2409 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	335.248176	197.6
[M+Na]+	357.230118	194.7
[M-H]-	333.233624	195.6
[M+NH4]+	352.274723	195.8
[M+K]+	373.204058	194.8
[M+H-H2O]+	317.238160	187.1
[M+HCOO]-	379.239101	196.5
[M+CH3COO]-	393.254751	197.1
[M+Na-2H]-	355.215566	197.9
[M]+	334.24035142	196.0
[M]-	334.24144858	196.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.