CID 34826

6h-dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(2-(dimethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula
C21H28N2
SMILES
CC(CN1CC2=CC=CC=C2CCC3=CC=CC=C3C1)N(C)C
InChI
InChI=1S/C21H28N2/c1-17(22(2)3)14-23-15-20-10-6-4-8-18(20)12-13-19-9-5-7-11-21(19)16-23/h4-11,17H,12-16H2,1-3H3
InChIKey
DHYXPPYPZPYELY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 197.0
[M+Na]+ 331.21447 195.0
[M-H]- 307.21797 195.4
[M+NH4]+ 326.25907 195.6
[M+K]+ 347.18841 194.6
[M+H-H2O]+ 291.22251 186.8
[M+HCOO]- 353.22345 196.2
[M+CH3COO]- 367.23910 196.8
[M+Na-2H]- 329.19992 197.7
[M]+ 308.22470 195.8
[M]- 308.22580 195.8
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.