CID 457568

N-(2,3-xylyl)aminolupinane

Structural Information

Molecular Formula
C18H28N2
SMILES
CC1=C(C(=CC=C1)NC[C@@H]2CCCN3[C@@H]2CCCC3)C
InChI
InChI=1S/C18H28N2/c1-14-7-5-9-17(15(14)2)19-13-16-8-6-12-20-11-4-3-10-18(16)20/h5,7,9,16,18-19H,3-4,6,8,10-13H2,1-2H3/t16-,18+/m0/s1
InChIKey
WLUKXXCEMFRQKO-FUHWJXTLSA-N
Compound name
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2,3-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.22525 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 167.7
[M+Na]+ 295.21447 170.7
[M-H]- 271.21797 172.0
[M+NH4]+ 290.25907 183.1
[M+K]+ 311.18841 165.9
[M+H-H2O]+ 255.22251 158.6
[M+HCOO]- 317.22345 182.9
[M+CH3COO]- 331.23910 176.8
[M+Na-2H]- 293.19992 169.9
[M]+ 272.22470 160.5
[M]- 272.22580 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.